3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine

C27H36N2 — CID 170203793

IUPAC3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine
SMILESCCC[C@@H]1CC=CC(C)=C1C1=CC=CC2=CN(C3=C(C)C=C(C)C[C@H]3C)C(C)N21
InChIInChI=1S/C27H36N2/c1-7-10-23-12-8-11-19(3)26(23)25-14-9-13-24-17-28(22(6)29(24)25)27-20(4)15-18(2)16-21(27)5/h8-9,11,13-15,17,21-23H,7,10,12,16H2,1-6H3/t21-,22?,23-/m1/s1
InChIKeyKLISGMXVJBAWGD-OJVMETQDSA-N
MW388.60 g/mol
LogP7.20
Rot. Bonds4

About 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine

3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine (PubChem CID 170203793) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine
PubChem CID170203793
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC Name3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine
SMILESCCC[C@@H]1CC=CC(C)=C1C1=CC=CC2=CN(C3=C(C)C=C(C)C[C@H]3C)C(C)N21
InChIInChI=1S/C27H36N2/c1-7-10-23-12-8-11-19(3)26(23)25-14-9-13-24-17-28(22(6)29(24)25)27-20(4)15-18(2)16-21(27)5/h8-9,11,13-15,17,21-23H,7,10,12,16H2,1-6H3/t21-,22?,23-/m1/s1
InChIKeyKLISGMXVJBAWGD-OJVMETQDSA-N
XLogP7.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine with MolForge

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Related Compounds

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CID 162573452
2,3-Di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole
CID 70856818
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CID 89476075
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476076
9-(4-Methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5,8,8a-hexahydrocarbazole
CID 90047806
N'-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-N-[2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-yl]-N'-ethenyl-N-methylmethanediamine
CID 117710261
1-[2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-3-(6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-2H-imidazole
CID 117710268
9-(4-Methylcyclohexa-1,5-dien-1-yl)-1,2,4b,5-tetrahydropyrido[2,3-b]indole
CID 118200030
(Z)-[(5R)-5,6-diethyl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]-3-[(4R)-4-propan-2-ylcyclohexa-1,5-dien-1-yl]-4,5-dihydrobenzimidazol-2-ylidene]methanamine
CID 118616911
(E)-[(5S,6S)-6-methyl-5-propan-2-yl-1-[(1R)-4-propan-2-ylcyclohexa-2,4-dien-1-yl]-3-[(1R,4R)-4-propan-2-ylcyclohex-2-en-1-yl]-4,5,6,7-tetrahydrobenzimidazol-2-ylidene]methanamine
CID 118616920
1-(5-butyl-2-propylcyclohexa-1,5-dien-1-yl)-3-methyl-2-(3-methylpentan-3-yl)-2H-imidazole
CID 123567763
1-(2,4,5,6-tetramethylcyclohexa-1,3-dien-1-yl)-3-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123752645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
The IUPAC name of 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine (CID 170203793) is 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine is CCC[C@@H]1CC=CC(C)=C1C1=CC=CC2=CN(C3=C(C)C=C(C)C[C@H]3C)C(C)N21.
What is the InChIKey of 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
The InChIKey is KLISGMXVJBAWGD-OJVMETQDSA-N. The full InChI is InChI=1S/C27H36N2/c1-7-10-23-12-8-11-19(3)26(23)25-14-9-13-24-17-28(22(6)29(24)25)27-20(4)15-18(2)16-21(27)5/h8-9,11,13-15,17,21-23H,7,10,12,16H2,1-6H3/t21-,22?,23-/m1/s1.
What are the key properties of 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine has a molecular weight of 388.60 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(6R)-2-methyl-6-propylcyclohexa-1,3-dien-1-yl]-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 170203793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).