2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine

C16H17N3 — CID 63815534

IUPAC2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1-n1cnc2ccccc21
InChIInChI=1S/C16H17N3/c1-12-10-13(8-9-17)6-7-15(12)19-11-18-14-4-2-3-5-16(14)19/h2-7,10-11H,8-9,17H2,1H3
InChIKeyRPFOPTYBZBBLPG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine

2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine (PubChem CID 63815534) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
PubChem CID63815534
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1-n1cnc2ccccc21
InChIInChI=1S/C16H17N3/c1-12-10-13(8-9-17)6-7-15(12)19-11-18-14-4-2-3-5-16(14)19/h2-7,10-11H,8-9,17H2,1H3
InChIKeyRPFOPTYBZBBLPG-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine (CID 63815534) is 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1-n1cnc2ccccc21.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine?
The InChIKey is RPFOPTYBZBBLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-10-13(8-9-17)6-7-15(12)19-11-18-14-4-2-3-5-16(14)19/h2-7,10-11H,8-9,17H2,1H3.
What are the key properties of 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine?
2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine is sourced from PubChem (CID 63815534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).