2-benzyl-1-propan-2-ylbenzimidazol-4-amine

C17H19N3 — CID 82068006

IUPAC2-benzyl-1-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)n1c(Cc2ccccc2)nc2c(N)cccc21
InChIInChI=1S/C17H19N3/c1-12(2)20-15-10-6-9-14(18)17(15)19-16(20)11-13-7-4-3-5-8-13/h3-10,12H,11,18H2,1-2H3
InChIKeyJHIAVBLEXIRJFA-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.79
Rot. Bonds3

About 2-benzyl-1-propan-2-ylbenzimidazol-4-amine

2-benzyl-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 82068006) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-benzyl-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-benzyl-1-propan-2-ylbenzimidazol-4-amine
PubChem CID82068006
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-benzyl-1-propan-2-ylbenzimidazol-4-amine
SMILESCC(C)n1c(Cc2ccccc2)nc2c(N)cccc21
InChIInChI=1S/C17H19N3/c1-12(2)20-15-10-6-9-14(18)17(15)19-16(20)11-13-7-4-3-5-8-13/h3-10,12H,11,18H2,1-2H3
InChIKeyJHIAVBLEXIRJFA-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
3-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 65346686
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
2-(4-amino-2-benzylbenzimidazol-1-yl)acetohydrazide
CID 82067997
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
2-[(4-chlorophenyl)methyl]-1-(methoxymethyl)benzimidazol-4-amine
CID 82068037
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784948
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 2-benzyl-1-propan-2-ylbenzimidazol-4-amine (CID 82068006) is 2-benzyl-1-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 2-benzyl-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 2-benzyl-1-propan-2-ylbenzimidazol-4-amine is CC(C)n1c(Cc2ccccc2)nc2c(N)cccc21.
What is the InChIKey of 2-benzyl-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is JHIAVBLEXIRJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)20-15-10-6-9-14(18)17(15)19-16(20)11-13-7-4-3-5-8-13/h3-10,12H,11,18H2,1-2H3.
What are the key properties of 2-benzyl-1-propan-2-ylbenzimidazol-4-amine?
2-benzyl-1-propan-2-ylbenzimidazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 82068006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).