2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide

C29H26Cl2N4O4 — CID 42829841

IUPAC2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
SMILESCOc1cc(OC)cc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)c2ccccc2Cl)C2CC2)c1
InChIInChI=1S/C29H26Cl2N4O4/c1-38-22-13-21(14-23(15-22)39-2)35-16-26(18-7-9-19(30)10-8-18)32-29(35)33-27(36)17-34(20-11-12-20)28(37)24-5-3-4-6-25(24)31/h3-10,13-16,20H,11-12,17H2,1-2H3,(H,32,33,36)
InChIKeyKHMYVAVDPUPVMT-UHFFFAOYSA-N
MW565.46 g/mol
LogP6.11
Rot. Bonds9

About 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide

2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide (PubChem CID 42829841) has the molecular formula C29H26Cl2N4O4 and a molecular weight of 565.46 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
PubChem CID42829841
Molecular FormulaC29H26Cl2N4O4
Molecular Weight565.46 g/mol
Exact Mass564.13
IUPAC Name2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
SMILESCOc1cc(OC)cc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)c2ccccc2Cl)C2CC2)c1
InChIInChI=1S/C29H26Cl2N4O4/c1-38-22-13-21(14-23(15-22)39-2)35-16-26(18-7-9-19(30)10-8-18)32-29(35)33-27(36)17-34(20-11-12-20)28(37)24-5-3-4-6-25(24)31/h3-10,13-16,20H,11-12,17H2,1-2H3,(H,32,33,36)
InChIKeyKHMYVAVDPUPVMT-UHFFFAOYSA-N
XLogP6.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.46
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 46145823
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
2-chloro-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98405670
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 42830515
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-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 83272806
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 42827317
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclopentanecarboxamide
CID 42830512
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
4-chloro-N-(cyclopropylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42828159
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-4-methylbenzamide
CID 46146458

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide (CID 42829841) is 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide is COc1cc(OC)cc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C(=O)c2ccccc2Cl)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide?
The InChIKey is KHMYVAVDPUPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O4/c1-38-22-13-21(14-23(15-22)39-2)35-16-26(18-7-9-19(30)10-8-18)32-29(35)33-27(36)17-34(20-11-12-20)28(37)24-5-3-4-6-25(24)31/h3-10,13-16,20H,11-12,17H2,1-2H3,(H,32,33,36).
What are the key properties of 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide?
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide has a molecular weight of 565.46 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 42829841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).