[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine

C17H19N3 — CID 104721289

IUPAC[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
SMILESCc1cccc(CCc2nc3c(CN)cccc3[nH]2)c1
InChIInChI=1S/C17H19N3/c1-12-4-2-5-13(10-12)8-9-16-19-15-7-3-6-14(11-18)17(15)20-16/h2-7,10H,8-9,11,18H2,1H3,(H,19,20)
InChIKeyQVROLDNXOVLCGV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.12
Rot. Bonds4

About [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine

[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721289) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
PubChem CID104721289
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
SMILESCc1cccc(CCc2nc3c(CN)cccc3[nH]2)c1
InChIInChI=1S/C17H19N3/c1-12-4-2-5-13(10-12)8-9-16-19-15-7-3-6-14(11-18)17(15)20-16/h2-7,10H,8-9,11,18H2,1H3,(H,19,20)
InChIKeyQVROLDNXOVLCGV-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
ethyl (E)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]prop-2-enoate
CID 22464991
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
2-methyl-5-[2-(3-methylphenyl)ethyl]-1H-1,2,4-triazole-3-thione
CID 104602117
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170
(3-methylphenyl)methanamine;hydrochloride
CID 18670917

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine (CID 104721289) is [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine is Cc1cccc(CCc2nc3c(CN)cccc3[nH]2)c1.
What is the InChIKey of [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine?
The InChIKey is QVROLDNXOVLCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-4-2-5-13(10-12)8-9-16-19-15-7-3-6-14(11-18)17(15)20-16/h2-7,10H,8-9,11,18H2,1H3,(H,19,20).
What are the key properties of [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine?
[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).