2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide

C25H23Cl2N3O2 — CID 71131190

IUPAC2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(C4=CC=CCC4)[nH]3)c2)c(Cl)c1
InChIInChI=1S/C25H23Cl2N3O2/c1-15(2)32-18-9-10-19(22(27)13-18)25(31)29-17-8-11-21(26)20(12-17)24-28-14-23(30-24)16-6-4-3-5-7-16/h3-4,6,8-15H,5,7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyALVPDEZUQDQPHK-UHFFFAOYSA-N
MW468.38 g/mol
LogP7.16
Rot. Bonds6

About 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide

2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 71131190) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID71131190
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(C4=CC=CCC4)[nH]3)c2)c(Cl)c1
InChIInChI=1S/C25H23Cl2N3O2/c1-15(2)32-18-9-10-19(22(27)13-18)25(31)29-17-8-11-21(26)20(12-17)24-28-14-23(30-24)16-6-4-3-5-7-16/h3-4,6,8-15H,5,7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyALVPDEZUQDQPHK-UHFFFAOYSA-N
XLogP7.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-methyl-3-propan-2-yloxybenzamide
CID 58006451
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
CID 24789075
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
CID 58006536
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
CID 58006497
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
CID 58006446
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2-chloro-N-[4-chloro-3-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-[(3R,5R)-4-ethyl-3,5-dimethylpiperazin-1-yl]benzamide
CID 139414605
2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 174577479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (CID 71131190) is 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(-c3ncc(C4=CC=CCC4)[nH]3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is ALVPDEZUQDQPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c1-15(2)32-18-9-10-19(22(27)13-18)25(31)29-17-8-11-21(26)20(12-17)24-28-14-23(30-24)16-6-4-3-5-7-16/h3-4,6,8-15H,5,7H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 468.38 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(5-cyclohexa-1,3-dien-1-yl-1H-imidazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 71131190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).