2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C28H26Cl2N4O3 — CID 46145823

IUPAC2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCOc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)c2ccccc2Cl)C(C)C)c1
InChIInChI=1S/C28H26Cl2N4O3/c1-18(2)33(27(36)23-9-4-5-10-24(23)30)17-26(35)32-28-31-25(19-11-13-20(29)14-12-19)16-34(28)21-7-6-8-22(15-21)37-3/h4-16,18H,17H2,1-3H3,(H,31,32,35)
InChIKeyPNJVVMFUAYZDCS-UHFFFAOYSA-N
MW537.45 g/mol
LogP6.34
Rot. Bonds8

About 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide

2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 46145823) has the molecular formula C28H26Cl2N4O3 and a molecular weight of 537.45 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID46145823
Molecular FormulaC28H26Cl2N4O3
Molecular Weight537.45 g/mol
Exact Mass536.14
IUPAC Name2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCOc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)c2ccccc2Cl)C(C)C)c1
InChIInChI=1S/C28H26Cl2N4O3/c1-18(2)33(27(36)23-9-4-5-10-24(23)30)17-26(35)32-28-31-25(19-11-13-20(29)14-12-19)16-34(28)21-7-6-8-22(15-21)37-3/h4-16,18H,17H2,1-3H3,(H,31,32,35)
InChIKeyPNJVVMFUAYZDCS-UHFFFAOYSA-N
XLogP6.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.45
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
CID 42829841
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42828259
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 83272806
N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide
CID 42828613
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418796
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42829849
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46146495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 46145823) is 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is COc1cccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)c2ccccc2Cl)C(C)C)c1.
What is the InChIKey of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is PNJVVMFUAYZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O3/c1-18(2)33(27(36)23-9-4-5-10-24(23)30)17-26(35)32-28-31-25(19-11-13-20(29)14-12-19)16-34(28)21-7-6-8-22(15-21)37-3/h4-16,18H,17H2,1-3H3,(H,31,32,35).
What are the key properties of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 537.45 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46145823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).