2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide

C25H20Cl2N4O2 — CID 66965647

IUPAC2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C25H20Cl2N4O2/c26-17-7-5-8-18(27)22(17)23-28-20-11-10-15(14-21(20)29-23)24(32)30-19-9-2-1-6-16(19)25(33)31-12-3-4-13-31/h1-2,5-11,14H,3-4,12-13H2,(H,28,29)(H,30,32)
InChIKeyOOPBHRCNLPYPGX-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.03
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 66965647) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID66965647
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C25H20Cl2N4O2/c26-17-7-5-8-18(27)22(17)23-28-20-11-10-15(14-21(20)29-23)24(32)30-19-9-2-1-6-16(19)25(33)31-12-3-4-13-31/h1-2,5-11,14H,3-4,12-13H2,(H,28,29)(H,30,32)
InChIKeyOOPBHRCNLPYPGX-UHFFFAOYSA-N
XLogP6.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 66965658
N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965413
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
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
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 66965647) is 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OOPBHRCNLPYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c26-17-7-5-8-18(27)22(17)23-28-20-11-10-15(14-21(20)29-23)24(32)30-19-9-2-1-6-16(19)25(33)31-12-3-4-13-31/h1-2,5-11,14H,3-4,12-13H2,(H,28,29)(H,30,32).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 479.37 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).