1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole

C29H38N2 — CID 166657708

IUPAC1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole
SMILESCCC1N(CC)C2=C(C=CCC2)N1C1=C(C2C=CC=CC2)CCCC1C1=CC=CCC1
InChIInChI=1S/C29H38N2/c1-3-28-30(4-2)26-20-11-12-21-27(26)31(28)29-24(22-14-7-5-8-15-22)18-13-19-25(29)23-16-9-6-10-17-23/h5-9,12,14,16,21-22,25,28H,3-4,10-11,13,15,17-20H2,1-2H3
InChIKeyRZQPHAMSFCVODZ-UHFFFAOYSA-N
MW414.64 g/mol
LogP7.38
Rot. Bonds5

About 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole

1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole (PubChem CID 166657708) has the molecular formula C29H38N2 and a molecular weight of 414.64 g/mol. Its IUPAC name is 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole.

Molecular Properties

Compound Name1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole
PubChem CID166657708
Molecular FormulaC29H38N2
Molecular Weight414.64 g/mol
Exact Mass414.30
IUPAC Name1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole
SMILESCCC1N(CC)C2=C(C=CCC2)N1C1=C(C2C=CC=CC2)CCCC1C1=CC=CCC1
InChIInChI=1S/C29H38N2/c1-3-28-30(4-2)26-20-11-12-21-27(26)31(28)29-24(22-14-7-5-8-15-22)18-13-19-25(29)23-16-9-6-10-17-23/h5-9,12,14,16,21-22,25,28H,3-4,10-11,13,15,17-20H2,1-2H3
InChIKeyRZQPHAMSFCVODZ-UHFFFAOYSA-N
XLogP7.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole?
The IUPAC name of 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole (CID 166657708) is 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole.
What is the SMILES notation for 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole?
The canonical SMILES for 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole is CCC1N(CC)C2=C(C=CCC2)N1C1=C(C2C=CC=CC2)CCCC1C1=CC=CCC1.
What is the InChIKey of 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole?
The InChIKey is RZQPHAMSFCVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2/c1-3-28-30(4-2)26-20-11-12-21-27(26)31(28)29-24(22-14-7-5-8-15-22)18-13-19-25(29)23-16-9-6-10-17-23/h5-9,12,14,16,21-22,25,28H,3-4,10-11,13,15,17-20H2,1-2H3.
What are the key properties of 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole?
1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole has a molecular weight of 414.64 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexa-1,3-dien-1-yl-2-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)-2,3-diethyl-4,5-dihydro-2H-benzimidazole is sourced from PubChem (CID 166657708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).