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

C28H38N2 — CID 170204096

IUPAC5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine
SMILESCCC[C@H]1C(C2=CC=CC3=CN(C4=C(C)C=C(C)C[C@H]4C)C(C)N32)=C(C)C=CC1C
InChIInChI=1S/C28H38N2/c1-8-10-25-19(3)13-14-20(4)27(25)26-12-9-11-24-17-29(23(7)30(24)26)28-21(5)15-18(2)16-22(28)6/h9,11-15,17,19,22-23,25H,8,10,16H2,1-7H3/t19?,22-,23?,25-/m1/s1
InChIKeyUSLLHKCNBYHHTK-PVDXNQTMSA-N
MW402.63 g/mol
LogP7.44
Rot. Bonds4

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

5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine (PubChem CID 170204096) has the molecular formula C28H38N2 and a molecular weight of 402.63 g/mol. Its IUPAC name is 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine
PubChem CID170204096
Molecular FormulaC28H38N2
Molecular Weight402.63 g/mol
Exact Mass402.30
IUPAC Name5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine
SMILESCCC[C@H]1C(C2=CC=CC3=CN(C4=C(C)C=C(C)C[C@H]4C)C(C)N32)=C(C)C=CC1C
InChIInChI=1S/C28H38N2/c1-8-10-25-19(3)13-14-20(4)27(25)26-12-9-11-24-17-29(23(7)30(24)26)28-21(5)15-18(2)16-22(28)6/h9,11-15,17,19,22-23,25H,8,10,16H2,1-7H3/t19?,22-,23?,25-/m1/s1
InChIKeyUSLLHKCNBYHHTK-PVDXNQTMSA-N
XLogP7.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-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

1-[(6S)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2,2-difluoroimidazole
CID 156686575
3-[1-[(Z)-3-ethyl-4-methylpent-2-en-2-yl]-3-[(2S,3S,4S)-5-fluoro-2,3,4-trimethylhept-6-enyl]-4,5-dihydro-2H-benzimidazol-2-yl]prop-1-ene-2-thiol
CID 174071300
13,13-Difluoro-6,9,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14(18),15-heptaene
CID 162573452
1,3-bis[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476075
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476076
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
(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-[2,6-Di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-(6-propan-2-ylcyclohexa-1,3-dien-1-yl)imidazolidine
CID 123292874
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
1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123754159

Frequently Asked Questions

What is the IUPAC name of 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
The IUPAC name of 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine (CID 170204096) is 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine.
What is the SMILES notation for 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
The canonical SMILES for 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine is CCC[C@H]1C(C2=CC=CC3=CN(C4=C(C)C=C(C)C[C@H]4C)C(C)N32)=C(C)C=CC1C.
What is the InChIKey of 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
The InChIKey is USLLHKCNBYHHTK-PVDXNQTMSA-N. The full InChI is InChI=1S/C28H38N2/c1-8-10-25-19(3)13-14-20(4)27(25)26-12-9-11-24-17-29(23(7)30(24)26)28-21(5)15-18(2)16-22(28)6/h9,11-15,17,19,22-23,25H,8,10,16H2,1-7H3/t19?,22-,23?,25-/m1/s1.
What are the key properties of 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine?
5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine has a molecular weight of 402.63 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-2,5-dimethyl-6-propylcyclohexa-1,3-dien-1-yl]-3-methyl-2-[(6R)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-3H-imidazo[1,5-a]pyridine is sourced from PubChem (CID 170204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).