1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide

C19H27N5O — CID 128877935

IUPAC1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC3CCC(N4CCNCC4)CC3)ccc21
InChIInChI=1S/C19H27N5O/c1-23-13-21-17-12-14(2-7-18(17)23)19(25)22-15-3-5-16(6-4-15)24-10-8-20-9-11-24/h2,7,12-13,15-16,20H,3-6,8-11H2,1H3,(H,22,25)
InChIKeyMTQOKGVTRGFEEY-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.52
Rot. Bonds3

About 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide

1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide (PubChem CID 128877935) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
PubChem CID128877935
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NC3CCC(N4CCNCC4)CC3)ccc21
InChIInChI=1S/C19H27N5O/c1-23-13-21-17-12-14(2-7-18(17)23)19(25)22-15-3-5-16(6-4-15)24-10-8-20-9-11-24/h2,7,12-13,15-16,20H,3-6,8-11H2,1H3,(H,22,25)
InChIKeyMTQOKGVTRGFEEY-UHFFFAOYSA-N
XLogP1.52
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
1-methyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]benzimidazole-5-carboxamide
CID 99696199
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-1-methylbenzimidazole-5-carboxamide
CID 139541555
1-methyl-N-pyrrolidin-3-ylbenzotriazole-5-carboxamide
CID 119449625
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
CID 74234094
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylbenzimidazole-5-carboxamide
CID 91761822

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide (CID 128877935) is 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NC3CCC(N4CCNCC4)CC3)ccc21.
What is the InChIKey of 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide?
The InChIKey is MTQOKGVTRGFEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-13-21-17-12-14(2-7-18(17)23)19(25)22-15-3-5-16(6-4-15)24-10-8-20-9-11-24/h2,7,12-13,15-16,20H,3-6,8-11H2,1H3,(H,22,25).
What are the key properties of 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide?
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 128877935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).