N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

C21H30N4O — CID 53180053

IUPACN-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C21H30N4O/c26-21(23-18-7-3-1-2-4-8-18)17-9-10-20-19(15-17)22-16-25(20)14-13-24-11-5-6-12-24/h9-10,15-16,18H,1-8,11-14H2,(H,23,26)
InChIKeyQAPVUWBBLFMAHR-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.58
Rot. Bonds5

About N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide (PubChem CID 53180053) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
PubChem CID53180053
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2c(c1)ncn2CCN1CCCC1
InChIInChI=1S/C21H30N4O/c26-21(23-18-7-3-1-2-4-8-18)17-9-10-20-19(15-17)22-16-25(20)14-13-24-11-5-6-12-24/h9-10,15-16,18H,1-8,11-14H2,(H,23,26)
InChIKeyQAPVUWBBLFMAHR-UHFFFAOYSA-N
XLogP3.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
CID 126448246
1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
CID 106003508
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyethyl)benzimidazol-5-yl]methanone
CID 92611389
N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377949
5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 69079010
N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820358
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide (CID 53180053) is N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide is O=C(NC1CCCCCC1)c1ccc2c(c1)ncn2CCN1CCCC1.
What is the InChIKey of N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is QAPVUWBBLFMAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c26-21(23-18-7-3-1-2-4-8-18)17-9-10-20-19(15-17)22-16-25(20)14-13-24-11-5-6-12-24/h9-10,15-16,18H,1-8,11-14H2,(H,23,26).
What are the key properties of N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide?
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 53180053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).