5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine

C16H17N3 — CID 54944327

IUPAC5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2Cc1ccccc1C
InChIInChI=1S/C16H17N3/c1-11-7-8-15-14(9-11)18-16(17)19(15)10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyOEIHXCUHOGMLPD-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds2

About 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine

5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine (PubChem CID 54944327) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
PubChem CID54944327
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2Cc1ccccc1C
InChIInChI=1S/C16H17N3/c1-11-7-8-15-14(9-11)18-16(17)19(15)10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyOEIHXCUHOGMLPD-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methanol
CID 82333264
2-(chloromethyl)-5-methyl-1-[(2-methylphenyl)methyl]benzimidazole
CID 60902601
5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
CID 64696156
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375037
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
5-methyl-1-(3-phenylbutyl)benzimidazol-2-amine
CID 62987867
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744
1-[(2-chlorophenyl)methyl]-5-iodobenzimidazol-2-amine
CID 66081183

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine (CID 54944327) is 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2Cc1ccccc1C.
What is the InChIKey of 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine?
The InChIKey is OEIHXCUHOGMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-7-8-15-14(9-11)18-16(17)19(15)10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3,(H2,17,18).
What are the key properties of 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine?
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 54944327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).