N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide

C28H25ClN4O3 — CID 46145158

IUPACN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C2CC2)c1
InChIInChI=1S/C28H25ClN4O3/c1-36-24-12-5-9-20(15-24)27(35)32(22-13-14-22)18-26(34)31-28-30-25(19-7-3-2-4-8-19)17-33(28)23-11-6-10-21(29)16-23/h2-12,15-17,22H,13-14,18H2,1H3,(H,30,31,34)
InChIKeyIXLHSRFIJSWSKC-UHFFFAOYSA-N
MW500.99 g/mol
LogP5.44
Rot. Bonds8

About N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide (PubChem CID 46145158) has the molecular formula C28H25ClN4O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
PubChem CID46145158
Molecular FormulaC28H25ClN4O3
Molecular Weight500.99 g/mol
Exact Mass500.16
IUPAC NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C2CC2)c1
InChIInChI=1S/C28H25ClN4O3/c1-36-24-12-5-9-20(15-24)27(35)32(22-13-14-22)18-26(34)31-28-30-25(19-7-3-2-4-8-19)17-33(28)23-11-6-10-21(29)16-23/h2-12,15-17,22H,13-14,18H2,1H3,(H,30,31,34)
InChIKeyIXLHSRFIJSWSKC-UHFFFAOYSA-N
XLogP5.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 42827317
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
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-[[4-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylbenzamide
CID 42829841
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98440219
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144318
N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
CID 46145226
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-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98431956
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98385589

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
The IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide (CID 46145158) is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide.
What is the SMILES notation for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
The canonical SMILES for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide is COc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2cccc(Cl)c2)C2CC2)c1.
What is the InChIKey of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
The InChIKey is IXLHSRFIJSWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O3/c1-36-24-12-5-9-20(15-24)27(35)32(22-13-14-22)18-26(34)31-28-30-25(19-7-3-2-4-8-19)17-33(28)23-11-6-10-21(29)16-23/h2-12,15-17,22H,13-14,18H2,1H3,(H,30,31,34).
What are the key properties of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide has a molecular weight of 500.99 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide is sourced from PubChem (CID 46145158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).