2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol

C21H26ClN5O2 — CID 146624471

IUPAC2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol
SMILESCc1cnc(NC2CCOCC2)nc1N1C=CN(C(CO)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H26ClN5O2/c1-15-12-23-21(24-18-5-9-29-10-6-18)25-20(15)27-8-7-26(14-27)19(13-28)16-3-2-4-17(22)11-16/h2-4,7-8,11-12,18-19,28H,5-6,9-10,13-14H2,1H3,(H,23,24,25)
InChIKeyCXDNZLVHZYKRRI-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.31
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol

2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol (PubChem CID 146624471) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol
PubChem CID146624471
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol
SMILESCc1cnc(NC2CCOCC2)nc1N1C=CN(C(CO)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H26ClN5O2/c1-15-12-23-21(24-18-5-9-29-10-6-18)25-20(15)27-8-7-26(14-27)19(13-28)16-3-2-4-17(22)11-16/h2-4,7-8,11-12,18-19,28H,5-6,9-10,13-14H2,1H3,(H,23,24,25)
InChIKeyCXDNZLVHZYKRRI-UHFFFAOYSA-N
XLogP3.31
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-fluoro-2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 86696683
N-[(1S)-1-(3-chlorophenyl)-2-(1H-pyrrol-2-ylmethylamino)ethyl]-1-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-4,5-dihydroimidazole-4-carboxamide
CID 170154191
2-[2-amino-1-(3-chlorophenyl)ethyl]-1-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]imidazole-4-carboxamide;benzenesulfonic acid
CID 175776723
2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 91864560
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1-[5-methyl-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]imidazole-4-carboxamide;sulfane
CID 158763190
N-[1-(3-chlorophenyl)prop-2-ynyl]-1-[2-[(3,3-difluorocyclobutyl)amino]-5-methylpyrimidin-4-yl]imidazole-4-carboxamide
CID 163977778
1-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 71727469
[4-[2-(cyclopropylamino)-5-methylpyrimidin-4-yl]-1H-pyrrol-2-yl] N-[1-(3-chlorophenyl)-2-hydroxyethyl]carbamate
CID 118221797
N-[2-hydroxy-1-(3-methylphenyl)ethyl]-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 122636149
N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[5-methyl-2-(oxan-4-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 178057058
1-[5-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[2-hydroxy-1-(3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 175250055
(2R)-2-[2-[5-chloro-2-(oxan-4-ylamino)pyrimidin-4-yl]-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]propanamide
CID 156898461

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol?
The IUPAC name of 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol (CID 146624471) is 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol is Cc1cnc(NC2CCOCC2)nc1N1C=CN(C(CO)c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol?
The InChIKey is CXDNZLVHZYKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-15-12-23-21(24-18-5-9-29-10-6-18)25-20(15)27-8-7-26(14-27)19(13-28)16-3-2-4-17(22)11-16/h2-4,7-8,11-12,18-19,28H,5-6,9-10,13-14H2,1H3,(H,23,24,25).
What are the key properties of 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol?
2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol has a molecular weight of 415.93 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[3-[5-methyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2H-imidazol-1-yl]ethanol is sourced from PubChem (CID 146624471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).