2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole

C18H26N2 — CID 63399500

IUPAC2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3CCC(C(C)(C)C)CC3)[nH]c2c1
InChIInChI=1S/C18H26N2/c1-12-5-10-15-16(11-12)20-17(19-15)13-6-8-14(9-7-13)18(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,19,20)
InChIKeyYPHHJSRSLLKTIT-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.19
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole

2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole (PubChem CID 63399500) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
PubChem CID63399500
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3CCC(C(C)(C)C)CC3)[nH]c2c1
InChIInChI=1S/C18H26N2/c1-12-5-10-15-16(11-12)20-17(19-15)13-6-8-14(9-7-13)18(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,19,20)
InChIKeyYPHHJSRSLLKTIT-UHFFFAOYSA-N
XLogP5.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-tert-butylcyclohexyl)-6-methyl-1H-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-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
CID 162444244
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
N-cyclohexyl-4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 108781623
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774137

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole (CID 63399500) is 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(C3CCC(C(C)(C)C)CC3)[nH]c2c1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole?
The InChIKey is YPHHJSRSLLKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12-5-10-15-16(11-12)20-17(19-15)13-6-8-14(9-7-13)18(2,3)4/h5,10-11,13-14H,6-9H2,1-4H3,(H,19,20).
What are the key properties of 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole?
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole has a molecular weight of 270.42 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 63399500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).