N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

C17H14ClN3O — CID 90336073

IUPACN-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-11-5-3-4-10(8-11)12-9-13(12)16(22)21-17-19-14-6-1-2-7-15(14)20-17/h1-8,12-13H,9H2,(H2,19,20,21,22)
InChIKeyVAUJRAUBUNXESP-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.96
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 90336073) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID90336073
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CC1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-11-5-3-4-10(8-11)12-9-13(12)16(22)21-17-19-14-6-1-2-7-15(14)20-17/h1-8,12-13H,9H2,(H2,19,20,21,22)
InChIKeyVAUJRAUBUNXESP-UHFFFAOYSA-N
XLogP3.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 90336073) is N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1CC1c1cccc(Cl)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is VAUJRAUBUNXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-11-5-3-4-10(8-11)12-9-13(12)16(22)21-17-19-14-6-1-2-7-15(14)20-17/h1-8,12-13H,9H2,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90336073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).