[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine

C16H16FN3 — CID 82332049

IUPAC[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
SMILESCc1ccc(Cn2c(CN)nc3cc(F)ccc32)cc1
InChIInChI=1S/C16H16FN3/c1-11-2-4-12(5-3-11)10-20-15-7-6-13(17)8-14(15)19-16(20)9-18/h2-8H,9-10,18H2,1H3
InChIKeyKKYJQRQUCUGQIU-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.99
Rot. Bonds3

About [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine

[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine (PubChem CID 82332049) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
PubChem CID82332049
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
SMILESCc1ccc(Cn2c(CN)nc3cc(F)ccc32)cc1
InChIInChI=1S/C16H16FN3/c1-11-2-4-12(5-3-11)10-20-15-7-6-13(17)8-14(15)19-16(20)9-18/h2-8H,9-10,18H2,1H3
InChIKeyKKYJQRQUCUGQIU-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine (CID 82332049) is [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine is Cc1ccc(Cn2c(CN)nc3cc(F)ccc32)cc1.
What is the InChIKey of [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine?
The InChIKey is KKYJQRQUCUGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-11-2-4-12(5-3-11)10-20-15-7-6-13(17)8-14(15)19-16(20)9-18/h2-8H,9-10,18H2,1H3.
What are the key properties of [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine?
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine has a molecular weight of 269.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82332049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).