N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide

C19H20ClN3O — CID 110773172

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(CC(=O)NCCc3cccc(Cl)c3)ccc2n1C
InChIInChI=1S/C19H20ClN3O/c1-13-22-17-11-15(6-7-18(17)23(13)2)12-19(24)21-9-8-14-4-3-5-16(20)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyGQIWHNIKQMFWRM-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.44
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide (PubChem CID 110773172) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
PubChem CID110773172
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(CC(=O)NCCc3cccc(Cl)c3)ccc2n1C
InChIInChI=1S/C19H20ClN3O/c1-13-22-17-11-15(6-7-18(17)23(13)2)12-19(24)21-9-8-14-4-3-5-16(20)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyGQIWHNIKQMFWRM-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110711846
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide (CID 110773172) is N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide is Cc1nc2cc(CC(=O)NCCc3cccc(Cl)c3)ccc2n1C.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The InChIKey is GQIWHNIKQMFWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13-22-17-11-15(6-7-18(17)23(13)2)12-19(24)21-9-8-14-4-3-5-16(20)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide has a molecular weight of 341.84 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110773172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).