N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide

C16H14ClN3O — CID 2098715

IUPACN-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14ClN3O/c17-13-4-1-11(2-5-13)7-8-18-16(21)12-3-6-14-15(9-12)20-10-19-14/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20)
InChIKeyFVAXWTQYEQQASM-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 2098715) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID2098715
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14ClN3O/c17-13-4-1-11(2-5-13)7-8-18-16(21)12-3-6-14-15(9-12)20-10-19-14/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20)
InChIKeyFVAXWTQYEQQASM-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 2098715) is N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FVAXWTQYEQQASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-4-1-11(2-5-13)7-8-18-16(21)12-3-6-14-15(9-12)20-10-19-14/h1-6,9-10H,7-8H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2098715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).