5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole

C17H18N2 — CID 962387

IUPAC5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3
InChIKeyPRIOFQYYSHATGH-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.01
Rot. Bonds2

About 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole

5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole (PubChem CID 962387) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole
PubChem CID962387
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3
InChIKeyPRIOFQYYSHATGH-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lerisetron
CID 65997
5,6-Dimethylbenzimidazole
CID 675
5-Methylbenzimidazole
CID 11979
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
1-Phenyl-1H-benzoimidazole
CID 606669
NS-2710
CID 9863520
1-ethyl-1H-1,3-benzodiazole
CID 485094
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
CID 321677
CID 321677
1-Benzyl-1H-benzimidazole
CID 563347
Stk857277
CID 950737

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole?
The IUPAC name of 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole (CID 962387) is 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole is Cc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1.
What is the InChIKey of 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole?
The InChIKey is PRIOFQYYSHATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-4-6-15(7-5-12)10-19-11-18-16-8-13(2)14(3)9-17(16)19/h4-9,11H,10H2,1-3H3.
What are the key properties of 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole?
5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole has a molecular weight of 250.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-[(4-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 962387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).