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

C25H24ClN5O3 — CID 18728155

IUPACN-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C25H24ClN5O3/c1-15-12-19(25(33)29-21-9-8-18(26)14-28-21)22(20(13-15)34-3)30-24(32)17-6-4-16(5-7-17)23-27-10-11-31(23)2/h4-9,12-14H,10-11H2,1-3H3,(H,30,32)(H,28,29,33)
InChIKeyFWNAHMOHGAISIK-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.25
Rot. Bonds6

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

N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (PubChem CID 18728155) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
PubChem CID18728155
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C25H24ClN5O3/c1-15-12-19(25(33)29-21-9-8-18(26)14-28-21)22(20(13-15)34-3)30-24(32)17-6-4-16(5-7-17)23-27-10-11-31(23)2/h4-9,12-14H,10-11H2,1-3H3,(H,30,32)(H,28,29,33)
InChIKeyFWNAHMOHGAISIK-UHFFFAOYSA-N
XLogP4.25
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.25
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)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (CID 18728155) is N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is COc1cc(C)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The InChIKey is FWNAHMOHGAISIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-15-12-19(25(33)29-21-9-8-18(26)14-28-21)22(20(13-15)34-3)30-24(32)17-6-4-16(5-7-17)23-27-10-11-31(23)2/h4-9,12-14H,10-11H2,1-3H3,(H,30,32)(H,28,29,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide has a molecular weight of 477.95 g/mol, XLogP of 4.25, 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)-3-methoxy-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 18728155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).