N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride

C16H26Cl2N4O — CID 119665891

IUPACN-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-2-3-6-13(11-17)19-16(21)9-10-20-12-18-14-7-4-5-8-15(14)20;;/h4-5,7-8,12-13H,2-3,6,9-11,17H2,1H3,(H,19,21);2*1H
InChIKeyIRLGHHWTIVZNJE-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.90
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride

N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride (PubChem CID 119665891) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride
PubChem CID119665891
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC NameN-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)CCn1cnc2ccccc21.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-2-3-6-13(11-17)19-16(21)9-10-20-12-18-14-7-4-5-8-15(14)20;;/h4-5,7-8,12-13H,2-3,6,9-11,17H2,1H3,(H,19,21);2*1H
InChIKeyIRLGHHWTIVZNJE-UHFFFAOYSA-N
XLogP2.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
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N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
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N-[2-(benzimidazol-1-yl)ethylcarbamoyl]pentanamide
CID 3042276
ethyl 2-amino-4-(benzimidazol-1-yl)butanoate
CID 55144910
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
bis(1-butylbenzimidazole);ethane
CID 142164287
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
CID 119598214
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride (CID 119665891) is N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride is CCCCC(CN)NC(=O)CCn1cnc2ccccc21.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride?
The InChIKey is IRLGHHWTIVZNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-2-3-6-13(11-17)19-16(21)9-10-20-12-18-14-7-4-5-8-15(14)20;;/h4-5,7-8,12-13H,2-3,6,9-11,17H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride?
N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119665891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).