2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide

C24H26FN5O2 — CID 42826543

IUPAC2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCC(C)NC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C24H26FN5O2/c1-16(2)26-24(32)30(20-12-13-20)15-22(31)28-23-27-21(17-6-4-3-5-7-17)14-29(23)19-10-8-18(25)9-11-19/h3-11,14,16,20H,12-13,15H2,1-2H3,(H,26,32)(H,27,28,31)
InChIKeyBBIBFXUYSHBCML-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.20
Rot. Bonds7

About 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide

2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide (PubChem CID 42826543) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
PubChem CID42826543
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCC(C)NC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/C24H26FN5O2/c1-16(2)26-24(32)30(20-12-13-20)15-22(31)28-23-27-21(17-6-4-3-5-7-17)14-29(23)19-10-8-18(25)9-11-19/h3-11,14,16,20H,12-13,15H2,1-2H3,(H,26,32)(H,27,28,31)
InChIKeyBBIBFXUYSHBCML-UHFFFAOYSA-N
XLogP4.20
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-2-phenylpropanamide
CID 70312590
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-4-fluorobenzamide
CID 42827317
N-cyclopropyl-4-methyl-N-[2-oxo-2-[[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]amino]ethyl]benzamide
CID 42829739
2-[[(2S)-oxolan-2-yl]methyl-(propan-2-ylcarbamoyl)amino]-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 93151288
N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 42826427
N-cyclopropyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42828405
(2R)-N-[2-[[4-(4-fluorophenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylpropanamide
CID 23649434
N-[2-[[4-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46144153
N-cyclopropyl-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46144318
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825347

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide (CID 42826543) is 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide is CC(C)NC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
The InChIKey is BBIBFXUYSHBCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-16(2)26-24(32)30(20-12-13-20)15-22(31)28-23-27-21(17-6-4-3-5-7-17)14-29(23)19-10-8-18(25)9-11-19/h3-11,14,16,20H,12-13,15H2,1-2H3,(H,26,32)(H,27,28,31).
What are the key properties of 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 42826543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).