1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine

C17H19N3 — CID 60664275

IUPAC1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3/c1-12-7-3-4-8-14(12)11-18-13(2)17-19-15-9-5-6-10-16(15)20-17/h3-10,13,18H,11H2,1-2H3,(H,19,20)
InChIKeyDMHKUFSRDPLWMX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.72
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine

1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 60664275) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID60664275
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H19N3/c1-12-7-3-4-8-14(12)11-18-13(2)17-19-15-9-5-6-10-16(15)20-17/h3-10,13,18H,11H2,1-2H3,(H,19,20)
InChIKeyDMHKUFSRDPLWMX-UHFFFAOYSA-N
XLogP3.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 63668582
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106816789
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
CID 55023348
1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747856
1-(1H-benzimidazol-2-yl)-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 60665126
1-(1H-benzimidazol-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397290
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 42197037
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452848
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725
[3-[[1-(1H-benzimidazol-2-yl)ethylamino]methyl]-2,4,6-trimethylphenyl]methyl acetate
CID 46982568

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine (CID 60664275) is 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is DMHKUFSRDPLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-7-3-4-8-14(12)11-18-13(2)17-19-15-9-5-6-10-16(15)20-17/h3-10,13,18H,11H2,1-2H3,(H,19,20).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine?
1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 60664275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).