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

C12H10N2 — CID 15423365

IUPAC2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
SMILESC1=CC(c2nc3ccccc3[nH]2)C=C1
InChIInChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-9H,(H,13,14)
InChIKeyKWSGJZYFSBMUTP-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.77
Rot. Bonds1

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

2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole (PubChem CID 15423365) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
PubChem CID15423365
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
SMILESC1=CC(c2nc3ccccc3[nH]2)C=C1
InChIInChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-9H,(H,13,14)
InChIKeyKWSGJZYFSBMUTP-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R)-2-(1H-benzimidazol-2-yl)cyclopentan-1-amine
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2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
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2-methyl-1H-benzimidazole
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2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1H-benzimidazole
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2-(1-propylazetidin-3-yl)-1H-benzimidazole
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4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
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3-(1H-benzimidazol-2-yl)cyclohexan-1-one
CID 142693354
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole (CID 15423365) is 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole is C1=CC(c2nc3ccccc3[nH]2)C=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole?
The InChIKey is KWSGJZYFSBMUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-9H,(H,13,14).
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole?
2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole has a molecular weight of 182.23 g/mol, XLogP of 2.77, 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-1H-benzimidazole is sourced from PubChem (CID 15423365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).