[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine

C15H15N3 — CID 79004545

IUPAC[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3ccc(CN)cc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-10-3-2-4-12(7-10)15-17-13-6-5-11(9-16)8-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyDODGCAOHEIFMSA-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.00
Rot. Bonds2

About [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine

[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004545) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004545
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3ccc(CN)cc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-10-3-2-4-12(7-10)15-17-13-6-5-11(9-16)8-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyDODGCAOHEIFMSA-UHFFFAOYSA-N
XLogP3.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004525
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
CID 18683779
[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004543
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004485
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine
CID 144603581
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine (CID 79004545) is [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine is Cc1cccc(-c2nc3ccc(CN)cc3[nH]2)c1.
What is the InChIKey of [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is DODGCAOHEIFMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-3-2-4-12(7-10)15-17-13-6-5-11(9-16)8-14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 237.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).