6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole

C21H20N2 — CID 145498339

IUPAC6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2ccc(C3=CCCCC=C3)cc21
InChIInChI=1S/C21H20N2/c1-23-20-15-18(16-9-5-2-3-6-10-16)13-14-19(20)22-21(23)17-11-7-4-8-12-17/h4-5,7-15H,2-3,6H2,1H3
InChIKeyRPLCBOOGJUXZRB-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.36
Rot. Bonds2

About 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole

6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole (PubChem CID 145498339) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole
PubChem CID145498339
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2ccc(C3=CCCCC=C3)cc21
InChIInChI=1S/C21H20N2/c1-23-20-15-18(16-9-5-2-3-6-10-16)13-14-19(20)22-21(23)17-11-7-4-8-12-17/h4-5,7-15H,2-3,6H2,1H3
InChIKeyRPLCBOOGJUXZRB-UHFFFAOYSA-N
XLogP5.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
1-[5-[3-[3-(3-cyclohepta-1,6-dien-1-yl-5-phenylphenyl)-5-(3,5-diphenylphenyl)phenyl]phenyl]-2-methylphenyl]isoquinoline
CID 144787273
3-methyl-2-(4-methylphenyl)benzimidazol-5-ol
CID 84700718
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
3-cyclohexa-1,5-dien-1-yl-6-(9-ethenyl-6-phenylcarbazol-3-yl)-9-methylcarbazole
CID 163449855
N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine
CID 162735853
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(1-methyl-2-phenyl-5,7-dihydropyrrolo[3,4-f]benzimidazol-6-yl)ethanol
CID 82164211

Frequently Asked Questions

What is the IUPAC name of 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole?
The IUPAC name of 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole (CID 145498339) is 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole.
What is the SMILES notation for 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole?
The canonical SMILES for 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole is Cn1c(-c2ccccc2)nc2ccc(C3=CCCCC=C3)cc21.
What is the InChIKey of 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole?
The InChIKey is RPLCBOOGJUXZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-23-20-15-18(16-9-5-2-3-6-10-16)13-14-19(20)22-21(23)17-11-7-4-8-12-17/h4-5,7-15H,2-3,6H2,1H3.
What are the key properties of 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole?
6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole has a molecular weight of 300.41 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole is sourced from PubChem (CID 145498339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).