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

C17H19N3 — CID 104721579

IUPAC[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
SMILESCn1c(CCc2ccccc2)nc2c(CN)cccc21
InChIInChI=1S/C17H19N3/c1-20-15-9-5-8-14(12-18)17(15)19-16(20)11-10-13-6-3-2-4-7-13/h2-9H,10-12,18H2,1H3
InChIKeyQRTLQFKSNOUIJR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.82
Rot. Bonds4

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

[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine (PubChem CID 104721579) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
PubChem CID104721579
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
SMILESCn1c(CCc2ccccc2)nc2c(CN)cccc21
InChIInChI=1S/C17H19N3/c1-20-15-9-5-8-14(12-18)17(15)19-16(20)11-10-13-6-3-2-4-7-13/h2-9H,10-12,18H2,1H3
InChIKeyQRTLQFKSNOUIJR-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721481
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-4-yl]methanamine
CID 104721374
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
CID 104721634
4-(aminomethyl)-1-benzylbenzimidazol-2-amine
CID 84804264
[2-[(2-chloro-6-fluorophenyl)methyl]-1-methylbenzimidazol-4-yl]methanamine
CID 104721561
2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
[1-methyl-2-(3-methylbutan-2-yl)benzimidazol-4-yl]methanamine
CID 104721357
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine (CID 104721579) is [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine is Cn1c(CCc2ccccc2)nc2c(CN)cccc21.
What is the InChIKey of [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine?
The InChIKey is QRTLQFKSNOUIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-15-9-5-8-14(12-18)17(15)19-16(20)11-10-13-6-3-2-4-7-13/h2-9H,10-12,18H2,1H3.
What are the key properties of [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine?
[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).