N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

C15H22N4O — CID 119497235

IUPACN-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)NCCC(C)N)nc12
InChIInChI=1S/C15H22N4O/c1-10-4-3-5-12-15(10)19-13(18-12)6-7-14(20)17-9-8-11(2)16/h3-5,11H,6-9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQVGGGNJKMJUNFI-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.66
Rot. Bonds6

About N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide

N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (PubChem CID 119497235) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
PubChem CID119497235
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
SMILESCc1cccc2[nH]c(CCC(=O)NCCC(C)N)nc12
InChIInChI=1S/C15H22N4O/c1-10-4-3-5-12-15(10)19-13(18-12)6-7-14(20)17-9-8-11(2)16/h3-5,11H,6-9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQVGGGNJKMJUNFI-UHFFFAOYSA-N
XLogP1.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119548614
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119607252
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
CID 119358657
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
N-(2-amino-1-cyclohexylethyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide;dihydrochloride
CID 119590593
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131929792
4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
CID 120562805
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The IUPAC name of N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide (CID 119497235) is N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The canonical SMILES for N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is Cc1cccc2[nH]c(CCC(=O)NCCC(C)N)nc12.
What is the InChIKey of N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
The InChIKey is QVGGGNJKMJUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-4-3-5-12-15(10)19-13(18-12)6-7-14(20)17-9-8-11(2)16/h3-5,11H,6-9,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide?
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide has a molecular weight of 274.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide is sourced from PubChem (CID 119497235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).