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

C21H22N4O2 — CID 108557671

IUPACN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C21H22N4O2/c1-14-4-2-3-5-17(14)20(26)24-16-8-10-25(11-9-16)21(27)15-6-7-18-19(12-15)23-13-22-18/h2-7,12-13,16H,8-11H2,1H3,(H,22,23)(H,24,26)
InChIKeyULYMZCACNPNNGM-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.91
Rot. Bonds3

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

N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 108557671) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID108557671
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C21H22N4O2/c1-14-4-2-3-5-17(14)20(26)24-16-8-10-25(11-9-16)21(27)15-6-7-18-19(12-15)23-13-22-18/h2-7,12-13,16H,8-11H2,1H3,(H,22,23)(H,24,26)
InChIKeyULYMZCACNPNNGM-UHFFFAOYSA-N
XLogP2.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.91
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-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553251
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556405
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108565757
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide (CID 108557671) is N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is ULYMZCACNPNNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-4-2-3-5-17(14)20(26)24-16-8-10-25(11-9-16)21(27)15-6-7-18-19(12-15)23-13-22-18/h2-7,12-13,16H,8-11H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.91, 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-methylbenzamide is sourced from PubChem (CID 108557671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).