N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide

C18H18ClN3O — CID 110765810

IUPACN-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C18H18ClN3O/c1-12-21-16-11-14(5-8-17(16)22(12)2)18(23)20-10-9-13-3-6-15(19)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyOPSURHCCDLELBQ-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 110765810) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID110765810
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C18H18ClN3O/c1-12-21-16-11-14(5-8-17(16)22(12)2)18(23)20-10-9-13-3-6-15(19)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeyOPSURHCCDLELBQ-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 47088894
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
N-[2-[5-(benzylcarbamoyl)-2-methylpyrimidin-4-yl]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 92619177
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71934907
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 110765810) is N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2n1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is OPSURHCCDLELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-12-21-16-11-14(5-8-17(16)22(12)2)18(23)20-10-9-13-3-6-15(19)7-4-13/h3-8,11H,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).