1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide

C20H20ClN3O — CID 17484999

IUPAC1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCCn1c(CNC(=O)C2(c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C20H20ClN3O/c1-2-24-17-6-4-3-5-16(17)23-18(24)13-22-19(25)20(11-12-20)14-7-9-15(21)10-8-14/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyIOWNRFWWYMUQQJ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.06
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 17484999) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID17484999
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCCn1c(CNC(=O)C2(c3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C20H20ClN3O/c1-2-24-17-6-4-3-5-16(17)23-18(24)13-22-19(25)20(11-12-20)14-7-9-15(21)10-8-14/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyIOWNRFWWYMUQQJ-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
1-(3-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 55539115
N-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-phenyloxane-4-carboxamide
CID 75489193
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 18116740
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 24549089
4-chloro-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-nitrobenzamide
CID 18116687
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768200

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 17484999) is 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide is CCn1c(CNC(=O)C2(c3ccc(Cl)cc3)CC2)nc2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is IOWNRFWWYMUQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-2-24-17-6-4-3-5-16(17)23-18(24)13-22-19(25)20(11-12-20)14-7-9-15(21)10-8-14/h3-10H,2,11-13H2,1H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 17484999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).