N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide

C22H18ClFN4O2 — CID 42825414

IUPACN-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccco1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H18ClFN4O2/c23-18-11-16(8-9-19(18)24)28-14-20(15-5-2-1-3-6-15)26-22(28)27-21(29)13-25-12-17-7-4-10-30-17/h1-11,14,25H,12-13H2,(H,26,27,29)
InChIKeyUGHXWRNAYDZZGR-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.65
Rot. Bonds7

About N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide

N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide (PubChem CID 42825414) has the molecular formula C22H18ClFN4O2 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
PubChem CID42825414
Molecular FormulaC22H18ClFN4O2
Molecular Weight424.86 g/mol
Exact Mass424.11
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccco1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H18ClFN4O2/c23-18-11-16(8-9-19(18)24)28-14-20(15-5-2-1-3-6-15)26-22(28)27-21(29)13-25-12-17-7-4-10-30-17/h1-11,14,25H,12-13H2,(H,26,27,29)
InChIKeyUGHXWRNAYDZZGR-UHFFFAOYSA-N
XLogP4.65
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825358
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 42827391
2-(benzylamino)-N-[4-phenyl-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42825393
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42828252
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830499
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-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 42827197
N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825347
2-(benzylamino)-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42825352
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
N-(4-chloro-2-methylphenyl)-2-(furan-2-ylmethylamino)acetamide
CID 108996274
2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 46146470

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide (CID 42825414) is N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide is O=C(CNCc1ccco1)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide?
The InChIKey is UGHXWRNAYDZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O2/c23-18-11-16(8-9-19(18)24)28-14-20(15-5-2-1-3-6-15)26-22(28)27-21(29)13-25-12-17-7-4-10-30-17/h1-11,14,25H,12-13H2,(H,26,27,29).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide?
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide has a molecular weight of 424.86 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide is sourced from PubChem (CID 42825414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).