4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole

C14H14N2 — CID 58019378

IUPAC4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
SMILESCC1=CC=C(c2ccc(C)c3c2=NCN=3)C1
InChIInChI=1S/C14H14N2/c1-9-3-5-11(7-9)12-6-4-10(2)13-14(12)16-8-15-13/h3-6H,7-8H2,1-2H3
InChIKeyFXFXYGHGGGRSEY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.94
Rot. Bonds1

About 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole

4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole (PubChem CID 58019378) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole.

Molecular Properties

Compound Name4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
PubChem CID58019378
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
SMILESCC1=CC=C(c2ccc(C)c3c2=NCN=3)C1
InChIInChI=1S/C14H14N2/c1-9-3-5-11(7-9)12-6-4-10(2)13-14(12)16-8-15-13/h3-6H,7-8H2,1-2H3
InChIKeyFXFXYGHGGGRSEY-UHFFFAOYSA-N
XLogP1.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The IUPAC name of 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole (CID 58019378) is 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole.
What is the SMILES notation for 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The canonical SMILES for 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole is CC1=CC=C(c2ccc(C)c3c2=NCN=3)C1.
What is the InChIKey of 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
The InChIKey is FXFXYGHGGGRSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-9-3-5-11(7-9)12-6-4-10(2)13-14(12)16-8-15-13/h3-6H,7-8H2,1-2H3.
What are the key properties of 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole?
4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole has a molecular weight of 210.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole is sourced from PubChem (CID 58019378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).