1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole

C19H22N2 — CID 18878798

IUPAC1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1
InChIInChI=1S/C19H22N2/c1-14(2)12-13-21-18-7-5-4-6-17(18)20-19(21)16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3
InChIKeyATSFCEUYLDTXLO-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.06
Rot. Bonds4

About 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole

1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole (PubChem CID 18878798) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
PubChem CID18878798
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1
InChIInChI=1S/C19H22N2/c1-14(2)12-13-21-18-7-5-4-6-17(18)20-19(21)16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3
InChIKeyATSFCEUYLDTXLO-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
CID 53063187
CID 10763839
CID 10763839
[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
CID 158757236
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
1-(3-methylbutyl)-2-[6-[1-(3-methylbutyl)-5-phenylbenzimidazol-2-yl]-2-pyridinyl]-5-phenylbenzimidazole
CID 132578044
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 17000955

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole?
The IUPAC name of 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole (CID 18878798) is 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole.
What is the SMILES notation for 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole?
The canonical SMILES for 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1.
What is the InChIKey of 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole?
The InChIKey is ATSFCEUYLDTXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14(2)12-13-21-18-7-5-4-6-17(18)20-19(21)16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole?
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole has a molecular weight of 278.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 18878798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).