(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole

C30H34N2 — CID 140940635

IUPAC(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole
SMILESCc1ccc2c(c1N1C=CN(C)[C@@H]1C)C1(C)CCCCC1(C)c1cc3ccccc3cc1-2
InChIInChI=1S/C30H34N2/c1-20-12-13-24-25-18-22-10-6-7-11-23(22)19-26(25)29(3)14-8-9-15-30(29,4)27(24)28(20)32-17-16-31(5)21(32)2/h6-7,10-13,16-19,21H,8-9,14-15H2,1-5H3/t21-,29?,30?/m0/s1
InChIKeyARRCHROSWIBJFA-KCOBHRJASA-N
MW422.62 g/mol
LogP7.49
Rot. Bonds1

About (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole

(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole (PubChem CID 140940635) has the molecular formula C30H34N2 and a molecular weight of 422.62 g/mol. Its IUPAC name is (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole
PubChem CID140940635
Molecular FormulaC30H34N2
Molecular Weight422.62 g/mol
Exact Mass422.27
IUPAC Name(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole
SMILESCc1ccc2c(c1N1C=CN(C)[C@@H]1C)C1(C)CCCCC1(C)c1cc3ccccc3cc1-2
InChIInChI=1S/C30H34N2/c1-20-12-13-24-25-18-22-10-6-7-11-23(22)19-26(25)29(3)14-8-9-15-30(29,4)27(24)28(20)32-17-16-31(5)21(32)2/h6-7,10-13,16-19,21H,8-9,14-15H2,1-5H3/t21-,29?,30?/m0/s1
InChIKeyARRCHROSWIBJFA-KCOBHRJASA-N
XLogP7.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8'-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2',7'-dimethylspiro[cyclopentane-1,9'-indeno[2,1-b]pyridine];bis(8-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-2,7,9,9-tetramethylindeno[2,1-b]pyridine);2,7,9,9-tetramethyl-8-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]indeno[2,1-b]pyridine
CID 158745457
(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
CID 59747528
(2S)-1,2-dimethyl-3-(1,1,4,4,9-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-8-yl)-2H-imidazole
CID 176822731
1-(3,6-dimethyldibenzofuran-4-yl)-2,3-dimethyl-2H-imidazole
CID 130343444
(2S)-1,2-dimethyl-3-(2-methylphenanthren-1-yl)-2H-imidazole;1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036739
(2S)-1-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
CID 118262158
3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 159518197
2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240330
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
(2S)-1,2-dimethyl-3-(2,9,9-trimethylxanthen-3-yl)-2H-imidazole
CID 134191883
(2S)-1-(9,9-dimethylxanthen-3-yl)-2,3-dimethyl-2H-imidazole
CID 134191832

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole?
The IUPAC name of (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole (CID 140940635) is (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole?
The canonical SMILES for (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole is Cc1ccc2c(c1N1C=CN(C)[C@@H]1C)C1(C)CCCCC1(C)c1cc3ccccc3cc1-2.
What is the InChIKey of (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole?
The InChIKey is ARRCHROSWIBJFA-KCOBHRJASA-N. The full InChI is InChI=1S/C30H34N2/c1-20-12-13-24-25-18-22-10-6-7-11-23(22)19-26(25)29(3)14-8-9-15-30(29,4)27(24)28(20)32-17-16-31(5)21(32)2/h6-7,10-13,16-19,21H,8-9,14-15H2,1-5H3/t21-,29?,30?/m0/s1.
What are the key properties of (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole?
(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole has a molecular weight of 422.62 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 140940635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).