3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole

C20H22N2 — CID 70875590

IUPAC3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole
SMILESCC1C=CC2=C(C1)NC(c1ccccc1)N2C1=CC=CCC1
InChIInChI=1S/C20H22N2/c1-15-12-13-19-18(14-15)21-20(16-8-4-2-5-9-16)22(19)17-10-6-3-7-11-17/h2-6,8-10,12-13,15,20-21H,7,11,14H2,1H3
InChIKeyQCAOEFQNHUJZFQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.63
Rot. Bonds2

About 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole

3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole (PubChem CID 70875590) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole
PubChem CID70875590
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole
SMILESCC1C=CC2=C(C1)NC(c1ccccc1)N2C1=CC=CCC1
InChIInChI=1S/C20H22N2/c1-15-12-13-19-18(14-15)21-20(16-8-4-2-5-9-16)22(19)17-10-6-3-7-11-17/h2-6,8-10,12-13,15,20-21H,7,11,14H2,1H3
InChIKeyQCAOEFQNHUJZFQ-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole (CID 70875590) is 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole is CC1C=CC2=C(C1)NC(c1ccccc1)N2C1=CC=CCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole?
The InChIKey is QCAOEFQNHUJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-12-13-19-18(14-15)21-20(16-8-4-2-5-9-16)22(19)17-10-6-3-7-11-17/h2-6,8-10,12-13,15,20-21H,7,11,14H2,1H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole?
3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole has a molecular weight of 290.41 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-6-methyl-2-phenyl-1,2,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 70875590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).