2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

C27H25ClN4O2 — CID 42827275

IUPAC2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C27H25ClN4O2/c1-3-31(26(34)22-14-7-8-15-23(22)28)18-25(33)30-27-29-24(20-11-5-4-6-12-20)17-32(27)21-13-9-10-19(2)16-21/h4-17H,3,18H2,1-2H3,(H,29,30,33)
InChIKeyLQHXXAFKGSSJFZ-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.60
Rot. Bonds7

About 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 42827275) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID42827275
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC Name2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1Cl
InChIInChI=1S/C27H25ClN4O2/c1-3-31(26(34)22-14-7-8-15-23(22)28)18-25(33)30-27-29-24(20-11-5-4-6-12-20)17-32(27)21-13-9-10-19(2)16-21/h4-17H,3,18H2,1-2H3,(H,29,30,33)
InChIKeyLQHXXAFKGSSJFZ-UHFFFAOYSA-N
XLogP5.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827258
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42828443
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
CID 42828464
N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42827261
N-(2-methoxyethyl)-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42827262
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93151678
N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828514
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-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 42827290
4-fluoro-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827282
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (CID 42827275) is 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(C)c1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is LQHXXAFKGSSJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-3-31(26(34)22-14-7-8-15-23(22)28)18-25(33)30-27-29-24(20-11-5-4-6-12-20)17-32(27)21-13-9-10-19(2)16-21/h4-17H,3,18H2,1-2H3,(H,29,30,33).
What are the key properties of 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 472.98 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42827275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).