[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine

C16H16FN3 — CID 65038217

IUPAC[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(Cc2ccccc2F)nc2cc(CN)ccc21
InChIInChI=1S/C16H16FN3/c1-20-15-7-6-11(10-18)8-14(15)19-16(20)9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3
InChIKeyHPCJFLDEYYWRAI-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.76
Rot. Bonds3

About [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine

[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65038217) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65038217
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(Cc2ccccc2F)nc2cc(CN)ccc21
InChIInChI=1S/C16H16FN3/c1-20-15-7-6-11(10-18)8-14(15)19-16(20)9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3
InChIKeyHPCJFLDEYYWRAI-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine (CID 65038217) is [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine is Cn1c(Cc2ccccc2F)nc2cc(CN)ccc21.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is HPCJFLDEYYWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-20-15-7-6-11(10-18)8-14(15)19-16(20)9-12-4-2-3-5-13(12)17/h2-8H,9-10,18H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine?
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 269.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).