2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine

C16H17N3 — CID 63816406

IUPAC2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine
SMILESCc1cc(-n2cnc3ccccc32)ccc1CCN
InChIInChI=1S/C16H17N3/c1-12-10-14(7-6-13(12)8-9-17)19-11-18-15-4-2-3-5-16(15)19/h2-7,10-11H,8-9,17H2,1H3
InChIKeyOMWCZHPVKOIUMP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine

2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine (PubChem CID 63816406) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine
PubChem CID63816406
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine
SMILESCc1cc(-n2cnc3ccccc32)ccc1CCN
InChIInChI=1S/C16H17N3/c1-12-10-14(7-6-13(12)8-9-17)19-11-18-15-4-2-3-5-16(15)19/h2-7,10-11H,8-9,17H2,1H3
InChIKeyOMWCZHPVKOIUMP-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
CID 63815534
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
2-[2-amino-5-(benzimidazol-1-yl)phenyl]acetonitrile
CID 102624764
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 63815380
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
1-(7-methyldibenzofuran-3-yl)benzimidazole
CID 137490042
CID 149192166
CID 149192166
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine (CID 63816406) is 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine is Cc1cc(-n2cnc3ccccc32)ccc1CCN.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine?
The InChIKey is OMWCZHPVKOIUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-10-14(7-6-13(12)8-9-17)19-11-18-15-4-2-3-5-16(15)19/h2-7,10-11H,8-9,17H2,1H3.
What are the key properties of 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine?
2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine is sourced from PubChem (CID 63816406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).