2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide

C26H25ClN4O — CID 53318648

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C26H25ClN4O/c27-20-12-10-19(11-13-20)25-30-22-8-4-5-9-23(22)31(25)24(18-14-16-28-17-15-18)26(32)29-21-6-2-1-3-7-21/h4-5,8-17,21,24H,1-3,6-7H2,(H,29,32)
InChIKeyASRJHSMONZVNTD-UHFFFAOYSA-N
MW444.97 g/mol
LogP5.79
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide (PubChem CID 53318648) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide
PubChem CID53318648
Molecular FormulaC26H25ClN4O
Molecular Weight444.97 g/mol
Exact Mass444.17
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccncc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C26H25ClN4O/c27-20-12-10-19(11-13-20)25-30-22-8-4-5-9-23(22)31(25)24(18-14-16-28-17-15-18)26(32)29-21-6-2-1-3-7-21/h4-5,8-17,21,24H,1-3,6-7H2,(H,29,32)
InChIKeyASRJHSMONZVNTD-UHFFFAOYSA-N
XLogP5.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide (CID 53318648) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide is O=C(NC1CCCCC1)C(c1ccncc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide?
The InChIKey is ASRJHSMONZVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c27-20-12-10-19(11-13-20)25-30-22-8-4-5-9-23(22)31(25)24(18-14-16-28-17-15-18)26(32)29-21-6-2-1-3-7-21/h4-5,8-17,21,24H,1-3,6-7H2,(H,29,32).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide has a molecular weight of 444.97 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 53318648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).