2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole

C19H22N2 — CID 19000532

IUPAC2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc(CCCc2nc3c(C)cccc3[nH]2)c1C
InChIInChI=1S/C19H22N2/c1-13-7-4-9-16(15(13)3)10-6-12-18-20-17-11-5-8-14(2)19(17)21-18/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,20,21)
InChIKeyVSEZHEGUCGHRBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.66
Rot. Bonds4

About 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole

2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole (PubChem CID 19000532) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
PubChem CID19000532
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc(CCCc2nc3c(C)cccc3[nH]2)c1C
InChIInChI=1S/C19H22N2/c1-13-7-4-9-16(15(13)3)10-6-12-18-20-17-11-5-8-14(2)19(17)21-18/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,20,21)
InChIKeyVSEZHEGUCGHRBP-UHFFFAOYSA-N
XLogP4.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bendazol
CID 12132
5,6-Dimethylbenzimidazole
CID 675
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
2-Amino-3-methyl-9H-pyrido(2,3-b)indole
CID 62244
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-tert-Butylbenzimidazole
CID 32366
Chlorfenazole
CID 77123
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole (CID 19000532) is 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole is Cc1cccc(CCCc2nc3c(C)cccc3[nH]2)c1C.
What is the InChIKey of 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole?
The InChIKey is VSEZHEGUCGHRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-7-4-9-16(15(13)3)10-6-12-18-20-17-11-5-8-14(2)19(17)21-18/h4-5,7-9,11H,6,10,12H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole?
2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole has a molecular weight of 278.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 19000532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).