[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone

C25H16ClN3O — CID 122387688

IUPAC[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2nc(-c3cc(-c4ccccc4)cnc3Cl)[nH]c2c1
InChIInChI=1S/C25H16ClN3O/c26-24-20(13-19(15-27-24)16-7-3-1-4-8-16)25-28-21-12-11-18(14-22(21)29-25)23(30)17-9-5-2-6-10-17/h1-15H,(H,28,29)
InChIKeyDNRGSHIASCTOGT-UHFFFAOYSA-N
MW409.88 g/mol
LogP6.18
Rot. Bonds4

About [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone

[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 122387688) has the molecular formula C25H16ClN3O and a molecular weight of 409.88 g/mol. Its IUPAC name is [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID122387688
Molecular FormulaC25H16ClN3O
Molecular Weight409.88 g/mol
Exact Mass409.10
IUPAC Name[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2nc(-c3cc(-c4ccccc4)cnc3Cl)[nH]c2c1
InChIInChI=1S/C25H16ClN3O/c26-24-20(13-19(15-27-24)16-7-3-1-4-8-16)25-28-21-12-11-18(14-22(21)29-25)23(30)17-9-5-2-6-10-17/h1-15H,(H,28,29)
InChIKeyDNRGSHIASCTOGT-UHFFFAOYSA-N
XLogP6.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.88
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 50924471
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone (CID 122387688) is [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc2nc(-c3cc(-c4ccccc4)cnc3Cl)[nH]c2c1.
What is the InChIKey of [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is DNRGSHIASCTOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O/c26-24-20(13-19(15-27-24)16-7-3-1-4-8-16)25-28-21-12-11-18(14-22(21)29-25)23(30)17-9-5-2-6-10-17/h1-15H,(H,28,29).
What are the key properties of [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone?
[2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 409.88 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-phenyl-3-pyridinyl)-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 122387688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).