N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride

C20H25ClN4O — CID 119494794

IUPACN-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1nc2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-15(21)13-14-22-20(25)12-11-19-23-17-9-5-6-10-18(17)24(19)16-7-3-2-4-8-16;/h2-10,15H,11-14,21H2,1H3,(H,22,25);1H
InChIKeyPTEVKQBYFOIVEN-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.23
Rot. Bonds7

About N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride (PubChem CID 119494794) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
PubChem CID119494794
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1nc2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-15(21)13-14-22-20(25)12-11-19-23-17-9-5-6-10-18(17)24(19)16-7-3-2-4-8-16;/h2-10,15H,11-14,21H2,1H3,(H,22,25);1H
InChIKeyPTEVKQBYFOIVEN-UHFFFAOYSA-N
XLogP3.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(3-methylbutyl)-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867503
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
3-(1-phenylbenzimidazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119390648
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 55674528
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 112794338
N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 109388365
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride (CID 119494794) is N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride is CC(N)CCNC(=O)CCc1nc2ccccc2n1-c1ccccc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
The InChIKey is PTEVKQBYFOIVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-15(21)13-14-22-20(25)12-11-19-23-17-9-5-6-10-18(17)24(19)16-7-3-2-4-8-16;/h2-10,15H,11-14,21H2,1H3,(H,22,25);1H.
What are the key properties of N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119494794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).