N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide

C22H33N5O — CID 23630175

IUPACN-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
SMILESCCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCC2)n3C)CC1
InChIInChI=1S/C22H33N5O/c1-4-26-12-7-8-18(11-15-26)24(2)21(28)17-9-10-20-19(16-17)23-22(25(20)3)27-13-5-6-14-27/h9-10,16,18H,4-8,11-15H2,1-3H3
InChIKeyWJGYZVMBEQZAAC-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.12
Rot. Bonds4

About N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide

N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide (PubChem CID 23630175) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
PubChem CID23630175
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC NameN-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
SMILESCCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCC2)n3C)CC1
InChIInChI=1S/C22H33N5O/c1-4-26-12-7-8-18(11-15-26)24(2)21(28)17-9-10-20-19(16-17)23-22(25(20)3)27-13-5-6-14-27/h9-10,16,18H,4-8,11-15H2,1-3H3
InChIKeyWJGYZVMBEQZAAC-UHFFFAOYSA-N
XLogP3.12
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-methyl-1-propyl-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
CID 23629722
N-(2-methoxyethyl)-1-methyl-N-(1-propylpiperidin-4-yl)-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
CID 23630179
1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
CID 23629724
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N,1-dimethyl-N-(thian-4-yl)benzimidazole-5-carboxamide
CID 72930074
2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
CID 59083098
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
N-methyl-N-(1-methylpiperidin-4-yl)-2H-benzotriazole-5-carboxamide
CID 110468852
1-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzimidazole-5-carboxylic acid
CID 134705630
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide (CID 23630175) is N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide is CCN1CCCC(N(C)C(=O)c2ccc3c(c2)nc(N2CCCC2)n3C)CC1.
What is the InChIKey of N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
The InChIKey is WJGYZVMBEQZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-4-26-12-7-8-18(11-15-26)24(2)21(28)17-9-10-20-19(16-17)23-22(25(20)3)27-13-5-6-14-27/h9-10,16,18H,4-8,11-15H2,1-3H3.
What are the key properties of N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide?
N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 23630175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).