1-phenyl-6-propan-2-ylbenzimidazol-5-amine

C16H17N3 — CID 155036311

IUPAC1-phenyl-6-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1cc2c(cc1N)ncn2-c1ccccc1
InChIInChI=1S/C16H17N3/c1-11(2)13-8-16-15(9-14(13)17)18-10-19(16)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3
InChIKeyJTYBBDJQGCEUIN-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.73
Rot. Bonds2

About 1-phenyl-6-propan-2-ylbenzimidazol-5-amine

1-phenyl-6-propan-2-ylbenzimidazol-5-amine (PubChem CID 155036311) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-phenyl-6-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-phenyl-6-propan-2-ylbenzimidazol-5-amine
PubChem CID155036311
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-phenyl-6-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1cc2c(cc1N)ncn2-c1ccccc1
InChIInChI=1S/C16H17N3/c1-11(2)13-8-16-15(9-14(13)17)18-10-19(16)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3
InChIKeyJTYBBDJQGCEUIN-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-phenyl-6-propan-2-ylbenzimidazol-5-amine (CID 155036311) is 1-phenyl-6-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-phenyl-6-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-phenyl-6-propan-2-ylbenzimidazol-5-amine is CC(C)c1cc2c(cc1N)ncn2-c1ccccc1.
What is the InChIKey of 1-phenyl-6-propan-2-ylbenzimidazol-5-amine?
The InChIKey is JTYBBDJQGCEUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(2)13-8-16-15(9-14(13)17)18-10-19(16)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3.
What are the key properties of 1-phenyl-6-propan-2-ylbenzimidazol-5-amine?
1-phenyl-6-propan-2-ylbenzimidazol-5-amine has a molecular weight of 251.33 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 155036311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).