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Chemical ID: 4668781
Chemical ID:
4668781
Name [?]:
N-tert-butyl-1H-imidazole-2-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)c1[nH]ccn1
InChi [?]:
InChI=1/C8H13N3O/c1-8(2,3)11-7(12)6-9-4-5-10-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,8,6,2,9,12,5,7/E:(1,2,3)(4,5)(9,10)/rA:12nCCCCNCOCNCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13N3O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80465 |
Area: | 335.13 |
Solvation: | -1.57359 |
Coulombic: | -39.8001 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.68 |
LogP (Chemaxon): | 0.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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