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

C15H15N3 — CID 104721321

IUPAC[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
SMILESCc1cccc(-c2nc3c(CN)cccc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-10-4-2-5-11(8-10)15-17-13-7-3-6-12(9-16)14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyCYULNGLWDKIFKE-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.00
Rot. Bonds2

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

[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721321) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721321
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
SMILESCc1cccc(-c2nc3c(CN)cccc3[nH]2)c1
InChIInChI=1S/C15H15N3/c1-10-4-2-5-11(8-10)15-17-13-7-3-6-12(9-16)14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyCYULNGLWDKIFKE-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-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
CID 104721289
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
7-[(2-bromophenyl)methyl]-2-(3-methylphenyl)-3H-benzimidazol-5-ol
CID 67701878
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine (CID 104721321) is [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine is Cc1cccc(-c2nc3c(CN)cccc3[nH]2)c1.
What is the InChIKey of [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is CYULNGLWDKIFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-4-2-5-11(8-10)15-17-13-7-3-6-12(9-16)14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of [2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine?
[2-(3-methylphenyl)-1H-benzimidazol-4-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)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).