Chemical ID: 4668741

CCC1Nc2ccccc2N1c3ccc(cc3)Cl
Chemical ID:
4668741
Name [?]:
1-(4-chlorophenyl)-2-ethyl-2,3-dihydrobenzoimidazole
SMILES [?]:
CCC1Nc2ccccc2N1c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H15ClN2/c1-2-15-17-13-5-3-4-6-14(13)18(15)12-9-7-11(16)8-10-12/h3-10,15,17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,9,14,16,13,17,15,12,5,10,3,18,4,11/E:(7,8)(9,10)/rA:18cCCCNCCCCCCNCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClN2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.82965
Area:442.71
Solvation:-1.23811
Coulombic:-20.4834
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.746
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):4.41

Name Annotations

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Descriptor Annotations

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