4,7-di(propan-2-yl)-2H-benzimidazole

C13H18N2 — CID 89446993

IUPAC4,7-di(propan-2-yl)-2H-benzimidazole
SMILESCC(C)c1ccc(C(C)C)c2c1=NCN=2
InChIInChI=1S/C13H18N2/c1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13/h5-6,8-9H,7H2,1-4H3
InChIKeyXJVLFJQQQOVSMD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.14
Rot. Bonds2

About 4,7-di(propan-2-yl)-2H-benzimidazole

4,7-di(propan-2-yl)-2H-benzimidazole (PubChem CID 89446993) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-2H-benzimidazole
PubChem CID89446993
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4,7-di(propan-2-yl)-2H-benzimidazole
SMILESCC(C)c1ccc(C(C)C)c2c1=NCN=2
InChIInChI=1S/C13H18N2/c1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13/h5-6,8-9H,7H2,1-4H3
InChIKeyXJVLFJQQQOVSMD-UHFFFAOYSA-N
XLogP2.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,7-di(propan-2-yl)-2H-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

2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
CID 6445873
CID 6445873
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
4-Butyl-2,2-dimethylbenzimidazole
CID 20537660
1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
4,7-dimethyl-2H-benzimidazole
CID 20812386
(6-Azanidylidene-2-methyl-5-propan-2-ylcyclohexa-2,4-dien-1-ylidene)azanide;uranium(2+)
CID 57722326
4-ethyl-7-methanidyl-2H-benzimidazole;hexakis(yttrium)
CID 57997721
4-ethyl-7-methyl-2H-benzimidazole
CID 57997722
4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58019378
4-propan-2-yl-2H-benzimidazole
CID 58101930
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732

Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)-2H-benzimidazole?
The IUPAC name of 4,7-di(propan-2-yl)-2H-benzimidazole (CID 89446993) is 4,7-di(propan-2-yl)-2H-benzimidazole.
What is the SMILES notation for 4,7-di(propan-2-yl)-2H-benzimidazole?
The canonical SMILES for 4,7-di(propan-2-yl)-2H-benzimidazole is CC(C)c1ccc(C(C)C)c2c1=NCN=2.
What is the InChIKey of 4,7-di(propan-2-yl)-2H-benzimidazole?
The InChIKey is XJVLFJQQQOVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)-2H-benzimidazole?
4,7-di(propan-2-yl)-2H-benzimidazole has a molecular weight of 202.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)-2H-benzimidazole is sourced from PubChem (CID 89446993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).