1-(2-phenylethyl)benzimidazol-2-amine

C15H15N3 — CID 828642

IUPAC1-(2-phenylethyl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17)
InChIKeyPVVMFRWPQHLCJY-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-phenylethyl)benzimidazol-2-amine

1-(2-phenylethyl)benzimidazol-2-amine (PubChem CID 828642) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-phenylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)benzimidazol-2-amine
PubChem CID828642
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-(2-phenylethyl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17)
InChIKeyPVVMFRWPQHLCJY-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)benzimidazol-2-amine?
The IUPAC name of 1-(2-phenylethyl)benzimidazol-2-amine (CID 828642) is 1-(2-phenylethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(2-phenylethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(2-phenylethyl)benzimidazol-2-amine is Nc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)benzimidazol-2-amine?
The InChIKey is PVVMFRWPQHLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-15-17-13-8-4-5-9-14(13)18(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,16,17).
What are the key properties of 1-(2-phenylethyl)benzimidazol-2-amine?
1-(2-phenylethyl)benzimidazol-2-amine has a molecular weight of 237.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)benzimidazol-2-amine is sourced from PubChem (CID 828642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).