2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole

C12H10N2 — CID 125421248

IUPAC2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole
SMILESC1=CCC(C2=NC3=CC=CCC3=N2)=C1
InChIInChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-5,7H,6,8H2
InChIKeyVELUJGJRRCCWBH-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.57
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole

2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole (PubChem CID 125421248) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole
PubChem CID125421248
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole
SMILESC1=CCC(C2=NC3=CC=CCC3=N2)=C1
InChIInChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-5,7H,6,8H2
InChIKeyVELUJGJRRCCWBH-UHFFFAOYSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Imidazolo[4,5-f]indole
CID 18952429
4H-Carbazole
CID 19360791
Imidazocarbazole
CID 21887508
Imidazo[4,5-b]indole
CID 68843997
Fluorenoimidazole
CID 141258663
2,3-Dihydropyrrolo[2,3-b]indole
CID 129710235
Dihydrocyclopenta[b]indole
CID 129801781
Imidazo[4,5-a]quinindoline
CID 129864644
Imidazopyrido[2,3-b]indole
CID 129869207
Dihydroindolo[2,3-b]quinoline
CID 145915999
2-methyl-4H-benzimidazole
CID 12998085
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole (CID 125421248) is 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole is C1=CCC(C2=NC3=CC=CCC3=N2)=C1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?
The InChIKey is VELUJGJRRCCWBH-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/h1-5,7H,6,8H2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?
2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole has a molecular weight of 182.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole is sourced from PubChem (CID 125421248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).