2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide

C19H28N4O — CID 59083098

IUPAC2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
SMILESCCCCn1c(N)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C19H28N4O/c1-3-4-12-23-17-11-10-14(13-16(17)21-19(23)20)18(24)22(2)15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H2,20,21)
InChIKeyRBEKENSGCRBGJB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.82
Rot. Bonds5

About 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide

2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide (PubChem CID 59083098) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
PubChem CID59083098
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide
SMILESCCCCn1c(N)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C19H28N4O/c1-3-4-12-23-17-11-10-14(13-16(17)21-19(23)20)18(24)22(2)15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H2,20,21)
InChIKeyRBEKENSGCRBGJB-UHFFFAOYSA-N
XLogP3.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
ethyl 4-[2-[(4-carbamimidoylphenyl)methyl]-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-1-yl]butanoate
CID 23302416
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 4193265
2-[(4-chlorobenzoyl)amino]-N-cyclohexyl-N-methyl-1-(3-oxobutyl)benzimidazole-5-carboxamide
CID 59083099
2-(3-hydroxypiperidin-1-yl)-N-methyl-1-propyl-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
CID 23629722
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;4-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]butanoic acid
CID 159567057
6-[5-[cyclohexyl(methyl)carbamoyl]-2-(thiophene-2-carbonylamino)benzimidazol-1-yl]hexanoic acid
CID 10117609
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263
N-(1-ethylazepan-4-yl)-N,1-dimethyl-2-pyrrolidin-1-ylbenzimidazole-5-carboxamide
CID 23630175
1-(cyclopropylmethyl)-N-methyl-2-(2-methylpiperidin-1-yl)-N-(1-propylazepan-4-yl)benzimidazole-5-carboxamide
CID 23629724
N-cyclohexyl-2-[(3,4-dimethylbenzoyl)amino]-N-methyl-1-(3-oxopropyl)benzimidazole-5-carboxamide
CID 142243763
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide (CID 59083098) is 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide is CCCCn1c(N)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
The InChIKey is RBEKENSGCRBGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-4-12-23-17-11-10-14(13-16(17)21-19(23)20)18(24)22(2)15-8-6-5-7-9-15/h10-11,13,15H,3-9,12H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide?
2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-butyl-N-cyclohexyl-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 59083098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).