3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine

C13H19N3 — CID 84622657

IUPAC3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(C)c1cccc2[nH]c(CCCN)nc12
InChIInChI=1S/C13H19N3/c1-9(2)10-5-3-6-11-13(10)16-12(15-11)7-4-8-14/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyZSZFYLTZBBABPL-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.58
Rot. Bonds4

About 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine

3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 84622657) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID84622657
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(C)c1cccc2[nH]c(CCCN)nc12
InChIInChI=1S/C13H19N3/c1-9(2)10-5-3-6-11-13(10)16-12(15-11)7-4-8-14/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyZSZFYLTZBBABPL-UHFFFAOYSA-N
XLogP2.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propan-2-yl-1H-benzimidazol-2-yl)acetonitrile
CID 84619630
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
2-pentyl-4-(1-phenylpropyl)-1H-benzimidazole
CID 155676737
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
2-undecyl-1H-benzimidazol-4-amine
CID 65427678
3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
CID 45357286
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
4-methyl-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 46264650
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
2-(3-methyl-8-propan-2-ylquinolin-2-yl)ethanamine
CID 82242686
3-amino-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoic acid
CID 139809523
3-(6-propan-2-yloxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331922

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine (CID 84622657) is 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine is CC(C)c1cccc2[nH]c(CCCN)nc12.
What is the InChIKey of 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is ZSZFYLTZBBABPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)10-5-3-6-11-13(10)16-12(15-11)7-4-8-14/h3,5-6,9H,4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine?
3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 84622657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).