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

C22H21N3 — CID 82150130

IUPAC[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
SMILESCc1ccccc1-c1nc2ccccc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C22H21N3/c1-16-6-2-3-7-19(16)22-24-20-8-4-5-9-21(20)25(22)15-18-12-10-17(14-23)11-13-18/h2-13H,14-15,23H2,1H3
InChIKeyYHZDPAALIMPQOX-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.52
Rot. Bonds4

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

[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82150130) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82150130
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
SMILESCc1ccccc1-c1nc2ccccc2n1Cc1ccc(CN)cc1
InChIInChI=1S/C22H21N3/c1-16-6-2-3-7-19(16)22-24-20-8-4-5-9-21(20)25(22)15-18-12-10-17(14-23)11-13-18/h2-13H,14-15,23H2,1H3
InChIKeyYHZDPAALIMPQOX-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine (CID 82150130) is [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine is Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(CN)cc1.
What is the InChIKey of [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is YHZDPAALIMPQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-16-6-2-3-7-19(16)22-24-20-8-4-5-9-21(20)25(22)15-18-12-10-17(14-23)11-13-18/h2-13H,14-15,23H2,1H3.
What are the key properties of [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 327.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82150130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).