1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one

C27H26Cl2N2O3 — CID 22721058

IUPAC1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)C(C)C)c1OC
InChIInChI=1S/C27H26Cl2N2O3/c1-16(2)27(32)31-24(18-10-14-20(29)15-11-18)23(17-8-12-19(28)13-9-17)30-26(31)21-6-5-7-22(33-3)25(21)34-4/h5-16,23-24H,1-4H3
InChIKeyOPZRTSZCJXIROV-UHFFFAOYSA-N
MW497.42 g/mol
LogP6.74
Rot. Bonds6

About 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one

1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one (PubChem CID 22721058) has the molecular formula C27H26Cl2N2O3 and a molecular weight of 497.42 g/mol. Its IUPAC name is 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
PubChem CID22721058
Molecular FormulaC27H26Cl2N2O3
Molecular Weight497.42 g/mol
Exact Mass496.13
IUPAC Name1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
SMILESCOc1cccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)C(C)C)c1OC
InChIInChI=1S/C27H26Cl2N2O3/c1-16(2)27(32)31-24(18-10-14-20(29)15-11-18)23(17-8-12-19(28)13-9-17)30-26(31)21-6-5-7-22(33-3)25(21)34-4/h5-16,23-24H,1-4H3
InChIKeyOPZRTSZCJXIROV-UHFFFAOYSA-N
XLogP6.74
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.42
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R,5S)-5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-(4-nitrophenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one
CID 10238844
1-[5-(4-chlorophenyl)-2-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperidin-3-one
CID 158045401
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-cyclohexylmethanone
CID 10152795
[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 22721033
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 10128750
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
[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone
CID 69141884
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 10153050
[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 22721098
4,5-bis(4-chlorophenyl)-2-[2-(2-methylbutoxy)phenyl]-4,5-dihydroimidazole-1-carbaldehyde
CID 87712246
1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 56677048

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one (CID 22721058) is 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one is COc1cccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)C(C)C)c1OC.
What is the InChIKey of 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one?
The InChIKey is OPZRTSZCJXIROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O3/c1-16(2)27(32)31-24(18-10-14-20(29)15-11-18)23(17-8-12-19(28)13-9-17)30-26(31)21-6-5-7-22(33-3)25(21)34-4/h5-16,23-24H,1-4H3.
What are the key properties of 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one?
1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one has a molecular weight of 497.42 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-chlorophenyl)-2-(2,3-dimethoxyphenyl)-4,5-dihydroimidazol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 22721058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).