1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one

C34H40Cl2N4O4 — CID 66978934

IUPAC1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C2(C(=O)N3CCN(C(=O)C(C)C)CC3)NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C34H40Cl2N4O4/c1-21(2)32(41)39-16-18-40(19-17-39)33(42)34(28-15-14-27(43-5)20-29(28)44-22(3)4)37-30(23-6-10-25(35)11-7-23)31(38-34)24-8-12-26(36)13-9-24/h6-15,20-22,30-31,37-38H,16-19H2,1-5H3
InChIKeyHITSYUROXWPCIU-UHFFFAOYSA-N
MW639.62 g/mol
LogP5.94
Rot. Bonds8

About 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 66978934) has the molecular formula C34H40Cl2N4O4 and a molecular weight of 639.62 g/mol. Its IUPAC name is 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID66978934
Molecular FormulaC34H40Cl2N4O4
Molecular Weight639.62 g/mol
Exact Mass638.24
IUPAC Name1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C2(C(=O)N3CCN(C(=O)C(C)C)CC3)NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C34H40Cl2N4O4/c1-21(2)32(41)39-16-18-40(19-17-39)33(42)34(28-15-14-27(43-5)20-29(28)44-22(3)4)37-30(23-6-10-25(35)11-7-23)31(38-34)24-8-12-26(36)13-9-24/h6-15,20-22,30-31,37-38H,16-19H2,1-5H3
InChIKeyHITSYUROXWPCIU-UHFFFAOYSA-N
XLogP5.94
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.62
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 90427409
[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone
CID 66978949
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66978990
[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66978963
[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66979024
1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 123774324
1-[4-[4,5-bis(4-bromophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 66978982
1-[4-[(4S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CID 138612020
1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CID 24764418
[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)imidazolidin-2-yl]-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]methanone
CID 87843281
[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)imidazolidin-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;hydrochloride
CID 67012490
1-[4-[(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-methyl-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CID 166662756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one (CID 66978934) is 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one is COc1ccc(C2(C(=O)N3CCN(C(=O)C(C)C)CC3)NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c(OC(C)C)c1.
What is the InChIKey of 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is HITSYUROXWPCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40Cl2N4O4/c1-21(2)32(41)39-16-18-40(19-17-39)33(42)34(28-15-14-27(43-5)20-29(28)44-22(3)4)37-30(23-6-10-25(35)11-7-23)31(38-34)24-8-12-26(36)13-9-24/h6-15,20-22,30-31,37-38H,16-19H2,1-5H3.
What are the key properties of 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 639.62 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 66978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).