N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C20H18Cl2N4O2 — CID 108554461

IUPACN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H18Cl2N4O2/c21-15-3-1-13(9-16(15)22)20(28)26-7-5-14(6-8-26)25-19(27)12-2-4-17-18(10-12)24-11-23-17/h1-4,9-11,14H,5-8H2,(H,23,24)(H,25,27)
InChIKeyFNNOGSCXVKZTHG-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.90
Rot. Bonds3

About N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 108554461) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID108554461
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H18Cl2N4O2/c21-15-3-1-13(9-16(15)22)20(28)26-7-5-14(6-8-26)25-19(27)12-2-4-17-18(10-12)24-11-23-17/h1-4,9-11,14H,5-8H2,(H,23,24)(H,25,27)
InChIKeyFNNOGSCXVKZTHG-UHFFFAOYSA-N
XLogP3.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108561553
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108565757
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 108554461) is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is FNNOGSCXVKZTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c21-15-3-1-13(9-16(15)22)20(28)26-7-5-14(6-8-26)25-19(27)12-2-4-17-18(10-12)24-11-23-17/h1-4,9-11,14H,5-8H2,(H,23,24)(H,25,27).
What are the key properties of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108554461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).