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

C25H23ClFN5O3 — CID 18728093

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F
InChIInChI=1S/C25H23ClFN5O3/c1-14-10-18(25(34)30-21-7-5-16(26)13-29-21)22(20(11-14)35-3)31-24(33)17-6-4-15(12-19(17)27)23-28-8-9-32(23)2/h4-7,10-13H,8-9H2,1-3H3,(H,31,33)(H,29,30,34)
InChIKeyORCKBKDRQCYANG-UHFFFAOYSA-N
MW495.94 g/mol
LogP4.39
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide (PubChem CID 18728093) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide
PubChem CID18728093
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F
InChIInChI=1S/C25H23ClFN5O3/c1-14-10-18(25(34)30-21-7-5-16(26)13-29-21)22(20(11-14)35-3)31-24(33)17-6-4-15(12-19(17)27)23-28-8-9-32(23)2/h4-7,10-13H,8-9H2,1-3H3,(H,31,33)(H,29,30,34)
InChIKeyORCKBKDRQCYANG-UHFFFAOYSA-N
XLogP4.39
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide (CID 18728093) is N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide is COc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide?
The InChIKey is ORCKBKDRQCYANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c1-14-10-18(25(34)30-21-7-5-16(26)13-29-21)22(20(11-14)35-3)31-24(33)17-6-4-15(12-19(17)27)23-28-8-9-32(23)2/h4-7,10-13H,8-9H2,1-3H3,(H,31,33)(H,29,30,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide?
N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide has a molecular weight of 495.94 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methoxy-5-methylbenzamide is sourced from PubChem (CID 18728093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).