2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole

C15H18N2 — CID 143742383

IUPAC2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC=CC2N=C([C@H]3C=CC=CC3)N(C)C12
InChIInChI=1S/C15H18N2/c1-11-7-6-10-13-14(11)17(2)15(16-13)12-8-4-3-5-9-12/h3-8,10,12-14H,9H2,1-2H3/t12-,13?,14?/m0/s1
InChIKeyOCPCXFSDJMJNAY-HSBZDZAISA-N
MW226.32 g/mol
LogP2.72
Rot. Bonds1

About 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole

2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole (PubChem CID 143742383) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole.

Molecular Properties

Compound Name2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole
PubChem CID143742383
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole
SMILESCC1=CC=CC2N=C([C@H]3C=CC=CC3)N(C)C12
InChIInChI=1S/C15H18N2/c1-11-7-6-10-13-14(11)17(2)15(16-13)12-8-4-3-5-9-12/h3-8,10,12-14H,9H2,1-2H3/t12-,13?,14?/m0/s1
InChIKeyOCPCXFSDJMJNAY-HSBZDZAISA-N
XLogP2.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Ethyl-3-fluorocyclohexa-1,5-dien-1-yl)-8-methyl-2,3-dihydroimidazo[1,2-a]pyrazine
CID 169623552
5-Methyl-8-prop-2-enyl-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 10797372
1,2-Dimethyl-3a,7a-dihydrobenzimidazole
CID 57550427
2-Ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 59197950
2-(Cyclohexen-1-yl)-7-ethyl-1-methyl-3a,7a-dihydrobenzimidazole
CID 68215792
2,3,7a-trimethyl-3aH-benzimidazole
CID 70330879
1-Cyclohexa-2,4-dien-1-yl-2-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 70856815
2-(Cyclohexen-1-yl)-1-methyl-3a,7a-dihydrobenzimidazole
CID 70856844
2-(Cyclohexen-1-yl)-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018190
2-(Cyclohexen-1-yl)-3,5-dimethyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018198
(7aR)-2-(cyclohexen-1-yl)-3,7a-dimethyl-4,5-dihydro-3aH-benzimidazole
CID 71018223
2-Cyclohexa-1,3-dien-1-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018230

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole (CID 143742383) is 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole is CC1=CC=CC2N=C([C@H]3C=CC=CC3)N(C)C12.
What is the InChIKey of 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole?
The InChIKey is OCPCXFSDJMJNAY-HSBZDZAISA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-6-10-13-14(11)17(2)15(16-13)12-8-4-3-5-9-12/h3-8,10,12-14H,9H2,1-2H3/t12-,13?,14?/m0/s1.
What are the key properties of 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole?
2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole has a molecular weight of 226.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohexa-2,4-dien-1-yl]-1,7-dimethyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 143742383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).