2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide

C26H21Cl2N3O2 — CID 23398433

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2CC[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C26H21Cl2N3O2/c27-17-10-12-18(13-11-17)31-15-22(29-25(31)20-7-3-4-8-21(20)28)26(33)30-24-19-6-2-1-5-16(19)9-14-23(24)32/h1-8,10-13,15,23-24,32H,9,14H2,(H,30,33)/t23-,24-/m1/s1
InChIKeyTXVJLNFUZVINPY-DNQXCXABSA-N
MW478.38 g/mol
LogP5.62
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide (PubChem CID 23398433) has the molecular formula C26H21Cl2N3O2 and a molecular weight of 478.38 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide
PubChem CID23398433
Molecular FormulaC26H21Cl2N3O2
Molecular Weight478.38 g/mol
Exact Mass477.10
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2CC[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C26H21Cl2N3O2/c27-17-10-12-18(13-11-17)31-15-22(29-25(31)20-7-3-4-8-21(20)28)26(33)30-24-19-6-2-1-5-16(19)9-14-23(24)32/h1-8,10-13,15,23-24,32H,9,14H2,(H,30,33)/t23-,24-/m1/s1
InChIKeyTXVJLNFUZVINPY-DNQXCXABSA-N
XLogP5.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]imidazole-4-carboxamide
CID 23398430
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide
CID 86591637
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
CID 22285617
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
CID 23398402
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CID 138024753
N-[1-[1-(4-bromophenyl)-2-(2-chlorophenyl)imidazol-4-yl]ethylidene]hydroxylamine
CID 73203007
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 163893686
[2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazol-4-yl]-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 10185862
2-[2-(aminomethyl)phenyl]-1-(4-chlorophenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imidazole-4-carboxamide
CID 174460654

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide (CID 23398433) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide is O=C(N[C@@H]1c2ccccc2CC[C@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide?
The InChIKey is TXVJLNFUZVINPY-DNQXCXABSA-N. The full InChI is InChI=1S/C26H21Cl2N3O2/c27-17-10-12-18(13-11-17)31-15-22(29-25(31)20-7-3-4-8-21(20)28)26(33)30-24-19-6-2-1-5-16(19)9-14-23(24)32/h1-8,10-13,15,23-24,32H,9,14H2,(H,30,33)/t23-,24-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide has a molecular weight of 478.38 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxamide is sourced from PubChem (CID 23398433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).