2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole

C13H12N2 — CID 162444244

IUPAC2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3C=CC=C3)[nH]c2c1
InChIInChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-13(14-11)10-4-2-3-5-10/h2-8,10H,1H3,(H,14,15)
InChIKeyOKATZMPQGNNVCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.08
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole

2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole (PubChem CID 162444244) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
PubChem CID162444244
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(C3C=CC=C3)[nH]c2c1
InChIInChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-13(14-11)10-4-2-3-5-10/h2-8,10H,1H3,(H,14,15)
InChIKeyOKATZMPQGNNVCW-UHFFFAOYSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
CID 15423365
6-methyl-2-(oxolan-3-yl)-1H-benzimidazole
CID 61311575
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(6-methyl-1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 43379455
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-1H-benzimidazole
CID 63590184
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole (CID 162444244) is 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole is Cc1ccc2nc(C3C=CC=C3)[nH]c2c1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole?
The InChIKey is OKATZMPQGNNVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-13(14-11)10-4-2-3-5-10/h2-8,10H,1H3,(H,14,15).
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole?
2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole has a molecular weight of 196.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-6-methyl-1H-benzimidazole is sourced from PubChem (CID 162444244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).