1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine

C17H19N3 — CID 64694790

IUPAC1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
SMILESCCc1ccccc1Cn1c(C)nc2cc(N)ccc21
InChIInChI=1S/C17H19N3/c1-3-13-6-4-5-7-14(13)11-20-12(2)19-16-10-15(18)8-9-17(16)20/h4-10H,3,11,18H2,1-2H3
InChIKeyJNYLLMKBYNEOIS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.54
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine

1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine (PubChem CID 64694790) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
PubChem CID64694790
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
SMILESCCc1ccccc1Cn1c(C)nc2cc(N)ccc21
InChIInChI=1S/C17H19N3/c1-3-13-6-4-5-7-14(13)11-20-12(2)19-16-10-15(18)8-9-17(16)20/h4-10H,3,11,18H2,1-2H3
InChIKeyJNYLLMKBYNEOIS-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
CID 64696156
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106039427
1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
CID 64694587
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
CID 114112062
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine (CID 64694790) is 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine is CCc1ccccc1Cn1c(C)nc2cc(N)ccc21.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine?
The InChIKey is JNYLLMKBYNEOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-13-6-4-5-7-14(13)11-20-12(2)19-16-10-15(18)8-9-17(16)20/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine?
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 64694790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).