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

C16H17N3 — CID 79004360

IUPAC[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3ccc(CN)cc3[nH]2)c1C
InChIInChI=1S/C16H17N3/c1-10-4-3-5-13(11(10)2)16-18-14-7-6-12(9-17)8-15(14)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
InChIKeyZCTWONZVVSIQOD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.31
Rot. Bonds2

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

[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004360) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004360
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
SMILESCc1cccc(-c2nc3ccc(CN)cc3[nH]2)c1C
InChIInChI=1S/C16H17N3/c1-10-4-3-5-13(11(10)2)16-18-14-7-6-12(9-17)8-15(14)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
InChIKeyZCTWONZVVSIQOD-UHFFFAOYSA-N
XLogP3.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine (CID 79004360) is [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine is Cc1cccc(-c2nc3ccc(CN)cc3[nH]2)c1C.
What is the InChIKey of [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is ZCTWONZVVSIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10-4-3-5-13(11(10)2)16-18-14-7-6-12(9-17)8-15(14)19-16/h3-8H,9,17H2,1-2H3,(H,18,19).
What are the key properties of [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine?
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).