4-methyl-7-propan-2-yl-2H-benzimidazole

C11H14N2 — CID 89451895

IUPAC4-methyl-7-propan-2-yl-2H-benzimidazole
SMILESCc1ccc(C(C)C)c2c1=NCN=2
InChIInChI=1S/C11H14N2/c1-7(2)9-5-4-8(3)10-11(9)13-6-12-10/h4-5,7H,6H2,1-3H3
InChIKeyVKRQJFHFRXAGNJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.33
Rot. Bonds1

About 4-methyl-7-propan-2-yl-2H-benzimidazole

4-methyl-7-propan-2-yl-2H-benzimidazole (PubChem CID 89451895) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-methyl-7-propan-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name4-methyl-7-propan-2-yl-2H-benzimidazole
PubChem CID89451895
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-methyl-7-propan-2-yl-2H-benzimidazole
SMILESCc1ccc(C(C)C)c2c1=NCN=2
InChIInChI=1S/C11H14N2/c1-7(2)9-5-4-8(3)10-11(9)13-6-12-10/h4-5,7H,6H2,1-3H3
InChIKeyVKRQJFHFRXAGNJ-UHFFFAOYSA-N
XLogP1.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
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
4,7-diethyl-2H-benzimidazole
CID 58776602
5-propan-2-yl-2H-benzimidazole
CID 59088172
4-tert-butyl-2H-benzimidazole
CID 59485374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propan-2-yl-2H-benzimidazole?
The IUPAC name of 4-methyl-7-propan-2-yl-2H-benzimidazole (CID 89451895) is 4-methyl-7-propan-2-yl-2H-benzimidazole.
What is the SMILES notation for 4-methyl-7-propan-2-yl-2H-benzimidazole?
The canonical SMILES for 4-methyl-7-propan-2-yl-2H-benzimidazole is Cc1ccc(C(C)C)c2c1=NCN=2.
What is the InChIKey of 4-methyl-7-propan-2-yl-2H-benzimidazole?
The InChIKey is VKRQJFHFRXAGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-7(2)9-5-4-8(3)10-11(9)13-6-12-10/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-methyl-7-propan-2-yl-2H-benzimidazole?
4-methyl-7-propan-2-yl-2H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 89451895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).