2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole

C13H12N2 — CID 125421239

IUPAC2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole
SMILESCC1=CC=C2N=C(C3=CC=CC3)N=C2C1
InChIInChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-13(14-11)10-4-2-3-5-10/h2-4,6-7H,5,8H2,1H3
InChIKeyDBYXRFCZCCJZHK-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.96
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole

2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole (PubChem CID 125421239) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole
PubChem CID125421239
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole
SMILESCC1=CC=C2N=C(C3=CC=CC3)N=C2C1
InChIInChI=1S/C13H12N2/c1-9-6-7-11-12(8-9)15-13(14-11)10-4-2-3-5-10/h2-4,6-7H,5,8H2,1H3
InChIKeyDBYXRFCZCCJZHK-UHFFFAOYSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1-methyl-5h-pyrido[3,4-b]indole
CID 101206933
2-Methyl-6,7-dihydroimidazolo[4,5-f]indole
CID 129785217
7,8-Dimethylimidazo[4,5-e]-indole
CID 129789599
Dihydrocyclopenta[b]indole
CID 129801781
Dihydroindolo[2,3-b]quinoline
CID 145915999
2-methyl-5-(trifluoromethyl)-4H-benzimidazole
CID 162540790
2-methyl-4H-benzimidazole
CID 12998085
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
Imidazo[4,5-c]carbazole
CID 21887054
Cyclopenta[c]carbazole
CID 21887219
8,10-Diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 21887617
1H-indolo[2,3-b]quinoxaline
CID 21888108

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole (CID 125421239) is 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole is CC1=CC=C2N=C(C3=CC=CC3)N=C2C1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole?
The InChIKey is DBYXRFCZCCJZHK-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/h2-4,6-7H,5,8H2,1H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole?
2-cyclopenta-1,3-dien-1-yl-5-methyl-4H-benzimidazole has a molecular weight of 196.25 g/mol, XLogP of 2.96, 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-5-methyl-4H-benzimidazole is sourced from PubChem (CID 125421239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).