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

C24H22FN5O2 — CID 70670957

IUPAC5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2NC(=O)c2ccc(C3=NCCN3C)cc2)nc1
InChIInChI=1S/C24H22FN5O2/c1-15-3-10-21(27-14-15)29-24(32)19-13-18(25)8-9-20(19)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2/h3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyWSRAWIAGPCDWAC-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.73
Rot. Bonds5

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

5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 70670957) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID70670957
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2NC(=O)c2ccc(C3=NCCN3C)cc2)nc1
InChIInChI=1S/C24H22FN5O2/c1-15-3-10-21(27-14-15)29-24(32)19-13-18(25)8-9-20(19)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2/h3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32)
InChIKeyWSRAWIAGPCDWAC-UHFFFAOYSA-N
XLogP3.73
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide (CID 70670957) is 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cc(F)ccc2NC(=O)c2ccc(C3=NCCN3C)cc2)nc1.
What is the InChIKey of 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is WSRAWIAGPCDWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-15-3-10-21(27-14-15)29-24(32)19-13-18(25)8-9-20(19)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2/h3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32).
What are the key properties of 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 431.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 70670957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).