(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol

C22H20N4O2 — CID 70706206

IUPAC(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ccc(-n2ccnc2-c2nccn2[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C22H20N4O2/c1-28-17-8-6-16(7-9-17)25-12-10-23-21(25)22-24-11-13-26(22)20-18-5-3-2-4-15(18)14-19(20)27/h2-13,19-20,27H,14H2,1H3/t19-,20+/m0/s1
InChIKeyDNWHRVGEOXUJRO-VQTJNVASSA-N
MW372.43 g/mol
LogP3.25
Rot. Bonds4

About (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol (PubChem CID 70706206) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
PubChem CID70706206
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ccc(-n2ccnc2-c2nccn2[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C22H20N4O2/c1-28-17-8-6-16(7-9-17)25-12-10-23-21(25)22-24-11-13-26(22)20-18-5-3-2-4-15(18)14-19(20)27/h2-13,19-20,27H,14H2,1H3/t19-,20+/m0/s1
InChIKeyDNWHRVGEOXUJRO-VQTJNVASSA-N
XLogP3.25
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R)-1-[2-(1H-imidazol-5-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol
CID 155911838
iridium(3+);tris(1-(4-methoxyphenyl)-2-phenylimidazole)
CID 59348298
(1R,2S)-1-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 154898704
4-[2-(4-methoxyphenyl)imidazol-1-yl]pyridine
CID 57150181
CID 172687865
CID 172687865
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
CID 137167926
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
1-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)imidazole
CID 175883795
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
(4R)-7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 95120058
3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74249928

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol (CID 70706206) is (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol is COc1ccc(-n2ccnc2-c2nccn2[C@@H]2c3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is DNWHRVGEOXUJRO-VQTJNVASSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-17-8-6-16(7-9-17)25-12-10-23-21(25)22-24-11-13-26(22)20-18-5-3-2-4-15(18)14-19(20)27/h2-13,19-20,27H,14H2,1H3/t19-,20+/m0/s1.
What are the key properties of (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 372.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[2-[1-(4-methoxyphenyl)imidazol-2-yl]imidazol-1-yl]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 70706206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).