4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline

C19H24N4 — CID 83976113

IUPAC4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC(CN)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H24N4/c1-22(2)16-10-8-14(9-11-16)12-15(13-20)19-21-17-6-4-5-7-18(17)23(19)3/h4-11,15H,12-13,20H2,1-3H3
InChIKeyLGNZZGGSYIYQCY-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.92
Rot. Bonds5

About 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline

4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline (PubChem CID 83976113) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
PubChem CID83976113
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CC(CN)c2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H24N4/c1-22(2)16-10-8-14(9-11-16)12-15(13-20)19-21-17-6-4-5-7-18(17)23(19)3/h4-11,15H,12-13,20H2,1-3H3
InChIKeyLGNZZGGSYIYQCY-UHFFFAOYSA-N
XLogP2.92
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
2-(1-methylbenzimidazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 83976141
3-(3-chloro-4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)propan-1-amine
CID 83976138
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225
3-(4-ethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)propan-1-amine
CID 83976218
1-methyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 5130379
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
(2S)-2-(1-methylbenzimidazol-2-yl)-3-phenylpropane-1-thiol;2,2,2-trifluoroacetic acid
CID 11165380
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
2-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 114793236
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline (CID 83976113) is 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline is CN(C)c1ccc(CC(CN)c2nc3ccccc3n2C)cc1.
What is the InChIKey of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline?
The InChIKey is LGNZZGGSYIYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-22(2)16-10-8-14(9-11-16)12-15(13-20)19-21-17-6-4-5-7-18(17)23(19)3/h4-11,15H,12-13,20H2,1-3H3.
What are the key properties of 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline?
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline has a molecular weight of 308.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-N,N-dimethylaniline is sourced from PubChem (CID 83976113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).