1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole

C27H24N2 — CID 167084476

IUPAC1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole
SMILESCC1(c2ccccc2)C=CC=C(c2nc3ccccc3n2C2=CC=CCC2)C=C1
InChIInChI=1S/C27H24N2/c1-27(22-12-4-2-5-13-22)19-10-11-21(18-20-27)26-28-24-16-8-9-17-25(24)29(26)23-14-6-3-7-15-23/h2-6,8-14,16-20H,7,15H2,1H3
InChIKeyHVSHDCSGWRFFEW-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.69
Rot. Bonds3

About 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole

1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole (PubChem CID 167084476) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole
PubChem CID167084476
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole
SMILESCC1(c2ccccc2)C=CC=C(c2nc3ccccc3n2C2=CC=CCC2)C=C1
InChIInChI=1S/C27H24N2/c1-27(22-12-4-2-5-13-22)19-10-11-21(18-20-27)26-28-24-16-8-9-17-25(24)29(26)23-14-6-3-7-15-23/h2-6,8-14,16-20H,7,15H2,1H3
InChIKeyHVSHDCSGWRFFEW-UHFFFAOYSA-N
XLogP6.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70822200
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 129163447
8-[3-(1-cyclohexa-1,3-dien-1-ylbenzimidazol-2-yl)-1-iodocyclohexa-2,4-dien-1-yl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17-nonaene
CID 129306891
2-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 88966254
1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
CID 53440912
2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-cyclohexa-1,3-dien-1-ylimidazo[4,5-b]pyridine
CID 163874887
2-cyclohexa-1,5-dien-1-yl-1-[4-(2-methyl-10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]benzimidazole
CID 174299556
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]cyclohexa-1,3-dien-1-yl]-2-phenylbenzimidazole
CID 168725301
15-cyclohexa-1,3-dien-1-yl-3-(4-phenylquinazolin-2-yl)-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295322
(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)boronic acid
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole (CID 167084476) is 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole is CC1(c2ccccc2)C=CC=C(c2nc3ccccc3n2C2=CC=CCC2)C=C1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole?
The InChIKey is HVSHDCSGWRFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-27(22-12-4-2-5-13-22)19-10-11-21(18-20-27)26-28-24-16-8-9-17-25(24)29(26)23-14-6-3-7-15-23/h2-6,8-14,16-20H,7,15H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole?
1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole has a molecular weight of 376.50 g/mol, XLogP of 6.69, 3 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-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole is sourced from PubChem (CID 167084476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).