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

C27H22ClFN4O2 — CID 42827317

IUPACN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
SMILESO=C(CN(C(=O)c1ccc(F)cc1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C27H22ClFN4O2/c28-20-7-4-8-23(15-20)33-16-24(18-5-2-1-3-6-18)30-27(33)31-25(34)17-32(22-13-14-22)26(35)19-9-11-21(29)12-10-19/h1-12,15-16,22H,13-14,17H2,(H,30,31,34)
InChIKeyGYJNULLJLFGCBV-UHFFFAOYSA-N
MW488.95 g/mol
LogP5.58
Rot. Bonds7

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

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide (PubChem CID 42827317) has the molecular formula C27H22ClFN4O2 and a molecular weight of 488.95 g/mol. Its IUPAC name is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
PubChem CID42827317
Molecular FormulaC27H22ClFN4O2
Molecular Weight488.95 g/mol
Exact Mass488.14
IUPAC NameN-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
SMILESO=C(CN(C(=O)c1ccc(F)cc1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C27H22ClFN4O2/c28-20-7-4-8-23(15-20)33-16-24(18-5-2-1-3-6-18)30-27(33)31-25(34)17-32(22-13-14-22)26(35)19-9-11-21(29)12-10-19/h1-12,15-16,22H,13-14,17H2,(H,30,31,34)
InChIKeyGYJNULLJLFGCBV-UHFFFAOYSA-N
XLogP5.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.95
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
CID 46145226
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149
N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
CID 42829739
2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826543
4-fluoro-N-[2-[[1-(3-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827282
N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42827312
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42827205
N-cyclopropyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42828405
N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144318
N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
CID 70312590

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide?
The IUPAC name of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide (CID 42827317) is N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide?
The canonical SMILES for N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide is O=C(CN(C(=O)c1ccc(F)cc1)C1CC1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1.
What is the InChIKey of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide?
The InChIKey is GYJNULLJLFGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN4O2/c28-20-7-4-8-23(15-20)33-16-24(18-5-2-1-3-6-18)30-27(33)31-25(34)17-32(22-13-14-22)26(35)19-9-11-21(29)12-10-19/h1-12,15-16,22H,13-14,17H2,(H,30,31,34).
What are the key properties of N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide?
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide has a molecular weight of 488.95 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-4-fluorobenzamide is sourced from PubChem (CID 42827317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).