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Chemical ID: 7133996
Chemical ID:
7133996
Name [?]:
N-[2-(1-isopentylbenzoimidazol-2-yl)ethyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)CCn1c2ccccc2nc1CCNC(=O)C(C)(C)C
InChi [?]:
InChI=1/C19H29N3O/c1-14(2)11-13-22-16-9-7-6-8-15(16)21-17(22)10-12-20-18(23)19(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,23,10,9,11,8,15,4,16,5,2,12,7,14,18,20,17,13,6,19/E:(1,2)(3,4,5)/rA:23nCCCCCNCCCCCCNCCCNCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6d13;s14;s15;s16;s17;d18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29N3O |
All Atoms: | 52 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4666 |
Area: | 558.555 |
Solvation: | -2.49733 |
Coulombic: | -34.179 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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