2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide

C26H31FN6O3 — CID 42826540

IUPAC2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCCNC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C26H31FN6O3/c1-2-28-26(35)32(13-12-31-14-16-36-17-15-31)19-24(34)30-25-29-23(20-6-4-3-5-7-20)18-33(25)22-10-8-21(27)9-11-22/h3-11,18H,2,12-17,19H2,1H3,(H,28,35)(H,29,30,34)
InChIKeyAFSKYDYKQXLNEO-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.98
Rot. Bonds9

About 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide

2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide (PubChem CID 42826540) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
PubChem CID42826540
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCCNC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1
InChIInChI=1S/C26H31FN6O3/c1-2-28-26(35)32(13-12-31-14-16-36-17-15-31)19-24(34)30-25-29-23(20-6-4-3-5-7-20)18-33(25)22-10-8-21(27)9-11-22/h3-11,18H,2,12-17,19H2,1H3,(H,28,35)(H,29,30,34)
InChIKeyAFSKYDYKQXLNEO-UHFFFAOYSA-N
XLogP2.98
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 42828474
4-chloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42828243
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 91633749
2,4-dichloro-N-[2-[[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42826033
2,4-dichloro-N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 83277586
N-(1,4-diphenylimidazol-2-yl)-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42826885
2-(2-morpholin-4-ylethylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825392
N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 42826427
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42828379
2-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide
CID 42826543
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 42828402
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539

Frequently Asked Questions

What is the IUPAC name of 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide (CID 42826540) is 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide is CCNC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1.
What is the InChIKey of 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
The InChIKey is AFSKYDYKQXLNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-2-28-26(35)32(13-12-31-14-16-36-17-15-31)19-24(34)30-25-29-23(20-6-4-3-5-7-20)18-33(25)22-10-8-21(27)9-11-22/h3-11,18H,2,12-17,19H2,1H3,(H,28,35)(H,29,30,34).
What are the key properties of 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide?
2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 42826540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).