4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole

C17H18N2 — CID 82947392

IUPAC4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
SMILESCc1cc(C)c2nc(Cc3ccccc3C)[nH]c2c1
InChIInChI=1S/C17H18N2/c1-11-8-13(3)17-15(9-11)18-16(19-17)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyYCAGABXFSIKUPQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.08
Rot. Bonds2

About 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole

4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole (PubChem CID 82947392) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
PubChem CID82947392
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole
SMILESCc1cc(C)c2nc(Cc3ccccc3C)[nH]c2c1
InChIInChI=1S/C17H18N2/c1-11-8-13(3)17-15(9-11)18-16(19-17)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyYCAGABXFSIKUPQ-UHFFFAOYSA-N
XLogP4.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
CID 82946873
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
4,6-dimethyl-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 82947484
4,6-dimethyl-2-(phenoxymethyl)-1H-benzimidazole
CID 82947655
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 63613771
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636
N,N-dimethyl-2-[(2-methylphenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816370

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole (CID 82947392) is 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole is Cc1cc(C)c2nc(Cc3ccccc3C)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole?
The InChIKey is YCAGABXFSIKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-11-8-13(3)17-15(9-11)18-16(19-17)10-14-7-5-4-6-12(14)2/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole?
4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole has a molecular weight of 250.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(2-methylphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 82947392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).