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

C19H22N2 — CID 17000601

IUPAC1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
SMILESCCC(C)Cn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C19H22N2/c1-4-14(2)13-21-18-12-8-7-11-17(18)20-19(21)16-10-6-5-9-15(16)3/h5-12,14H,4,13H2,1-3H3
InChIKeyDIGIDZAUJIPVNS-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.06
Rot. Bonds4

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

1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole (PubChem CID 17000601) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
PubChem CID17000601
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
SMILESCCC(C)Cn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C19H22N2/c1-4-14(2)13-21-18-12-8-7-11-17(18)20-19(21)16-10-6-5-9-15(16)3/h5-12,14H,4,13H2,1-3H3
InChIKeyDIGIDZAUJIPVNS-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

Analyze 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole
CID 17000598
2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967470
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole (CID 17000601) is 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole is CCC(C)Cn1c(-c2ccccc2C)nc2ccccc21.
What is the InChIKey of 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole?
The InChIKey is DIGIDZAUJIPVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-4-14(2)13-21-18-12-8-7-11-17(18)20-19(21)16-10-6-5-9-15(16)3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole?
1-(2-methylbutyl)-2-(2-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-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).