5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide

C24H20Cl2FN5O2 — CID 59089690

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F
InChIInChI=1S/C24H20Cl2FN5O2/c1-13-9-16(26)11-18(24(34)30-20-6-4-15(25)12-29-20)21(13)31-23(33)17-5-3-14(10-19(17)27)22-28-7-8-32(22)2/h3-6,9-12H,7-8H2,1-2H3,(H,31,33)(H,29,30,34)
InChIKeyJUFLAQFOYQEMRO-UHFFFAOYSA-N
MW500.36 g/mol
LogP5.03
Rot. Bonds5

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide (PubChem CID 59089690) has the molecular formula C24H20Cl2FN5O2 and a molecular weight of 500.36 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide
PubChem CID59089690
Molecular FormulaC24H20Cl2FN5O2
Molecular Weight500.36 g/mol
Exact Mass499.10
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F
InChIInChI=1S/C24H20Cl2FN5O2/c1-13-9-16(26)11-18(24(34)30-20-6-4-15(25)12-29-20)21(13)31-23(33)17-5-3-14(10-19(17)27)22-28-7-8-32(22)2/h3-6,9-12H,7-8H2,1-2H3,(H,31,33)(H,29,30,34)
InChIKeyJUFLAQFOYQEMRO-UHFFFAOYSA-N
XLogP5.03
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.36
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide (CID 59089690) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide?
The InChIKey is JUFLAQFOYQEMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O2/c1-13-9-16(26)11-18(24(34)30-20-6-4-15(25)12-29-20)21(13)31-23(33)17-5-3-14(10-19(17)27)22-28-7-8-32(22)2/h3-6,9-12H,7-8H2,1-2H3,(H,31,33)(H,29,30,34).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide has a molecular weight of 500.36 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide is sourced from PubChem (CID 59089690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).