N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide

C24H21ClFN5O3 — CID 18727958

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H21ClFN5O3/c1-31-10-9-27-22(31)14-3-6-17(19(26)11-14)23(32)29-20-7-5-16(34-2)12-18(20)24(33)30-21-8-4-15(25)13-28-21/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyZTZPWERJUCDBEJ-UHFFFAOYSA-N
MW481.92 g/mol
LogP4.08
Rot. Bonds6

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide (PubChem CID 18727958) has the molecular formula C24H21ClFN5O3 and a molecular weight of 481.92 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
PubChem CID18727958
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.92 g/mol
Exact Mass481.13
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H21ClFN5O3/c1-31-10-9-27-22(31)14-3-6-17(19(26)11-14)23(32)29-20-7-5-16(34-2)12-18(20)24(33)30-21-8-4-15(25)13-28-21/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyZTZPWERJUCDBEJ-UHFFFAOYSA-N
XLogP4.08
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18728030
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)phenyl]methylamino]-5-methoxybenzamide;N-(5-chloro-2-pyridinyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]methylamino]benzamide
CID 161008660
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-5-bromo-N-(5-chloro-2-pyridinyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 157081924
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
CID 165367029
N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)ethylsulfanyl]-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11376092
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11192742
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 70670957
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 148805295
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)cyclohexa-1,3-diene-1-carbonyl]amino]benzamide
CID 59871653
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide (CID 18727958) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide is COc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide?
The InChIKey is ZTZPWERJUCDBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O3/c1-31-10-9-27-22(31)14-3-6-17(19(26)11-14)23(32)29-20-7-5-16(34-2)12-18(20)24(33)30-21-8-4-15(25)13-28-21/h3-8,11-13H,9-10H2,1-2H3,(H,29,32)(H,28,30,33).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide has a molecular weight of 481.92 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide is sourced from PubChem (CID 18727958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).