2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide

C23H15Cl2N5O — CID 66965658

IUPAC2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccnn1-c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C23H15Cl2N5O/c24-16-7-4-8-17(25)21(16)22-27-18-10-9-14(13-19(18)28-22)23(31)29-20-11-12-26-30(20)15-5-2-1-3-6-15/h1-13H,(H,27,28)(H,29,31)
InChIKeyFLIHCDFTXHPGGM-UHFFFAOYSA-N
MW448.31 g/mol
LogP5.97
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965658) has the molecular formula C23H15Cl2N5O and a molecular weight of 448.31 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID66965658
Molecular FormulaC23H15Cl2N5O
Molecular Weight448.31 g/mol
Exact Mass447.07
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccnn1-c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C23H15Cl2N5O/c24-16-7-4-8-17(25)21(16)22-27-18-10-9-14(13-19(18)28-22)23(31)29-20-11-12-26-30(20)15-5-2-1-3-6-15/h1-13H,(H,27,28)(H,29,31)
InChIKeyFLIHCDFTXHPGGM-UHFFFAOYSA-N
XLogP5.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.31
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide 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

2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 159319559
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 66965647
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]-3H-benzimidazole-5-carboxamide
CID 66966775
2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 66965658) is 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccnn1-c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FLIHCDFTXHPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O/c24-16-7-4-8-17(25)21(16)22-27-18-10-9-14(13-19(18)28-22)23(31)29-20-11-12-26-30(20)15-5-2-1-3-6-15/h1-13H,(H,27,28)(H,29,31).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 448.31 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).