N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide

C20H19ClN4O2 — CID 108550833

IUPACN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-16-4-2-1-3-15(16)19(26)24-14-7-9-25(10-8-14)20(27)13-5-6-17-18(11-13)23-12-22-17/h1-6,11-12,14H,7-10H2,(H,22,23)(H,24,26)
InChIKeyRTRPFAJYIRTXEN-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.25
Rot. Bonds3

About N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide (PubChem CID 108550833) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
PubChem CID108550833
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-16-4-2-1-3-15(16)19(26)24-14-7-9-25(10-8-14)20(27)13-5-6-17-18(11-13)23-12-22-17/h1-6,11-12,14H,7-10H2,(H,22,23)(H,24,26)
InChIKeyRTRPFAJYIRTXEN-UHFFFAOYSA-N
XLogP3.25
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108561553
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108565757
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide (CID 108550833) is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide is O=C(NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
The InChIKey is RTRPFAJYIRTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-4-2-1-3-15(16)19(26)24-14-7-9-25(10-8-14)20(27)13-5-6-17-18(11-13)23-12-22-17/h1-6,11-12,14H,7-10H2,(H,22,23)(H,24,26).
What are the key properties of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide has a molecular weight of 382.85 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide is sourced from PubChem (CID 108550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).