1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole

C20H20N2 — CID 71090933

IUPAC1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole
SMILESCc1cccc(C2=NC3C=CC=CC3N2C2=CC=CCC2)c1
InChIInChI=1S/C20H20N2/c1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17/h2-3,5-10,12-14,18-19H,4,11H2,1H3
InChIKeyZQZDOUQEWDXYEG-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.15
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole

1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole (PubChem CID 71090933) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole
PubChem CID71090933
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole
SMILESCc1cccc(C2=NC3C=CC=CC3N2C2=CC=CCC2)c1
InChIInChI=1S/C20H20N2/c1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17/h2-3,5-10,12-14,18-19H,4,11H2,1H3
InChIKeyZQZDOUQEWDXYEG-UHFFFAOYSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole (CID 71090933) is 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole is Cc1cccc(C2=NC3C=CC=CC3N2C2=CC=CCC2)c1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole?
The InChIKey is ZQZDOUQEWDXYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-15-8-7-9-16(14-15)20-21-18-12-5-6-13-19(18)22(20)17-10-3-2-4-11-17/h2-3,5-10,12-14,18-19H,4,11H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole?
1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole has a molecular weight of 288.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2-(3-methylphenyl)-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 71090933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).