4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide

C28H26Cl2N4O2 — CID 16729606

IUPAC4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C3c4nc[nH]c4CCN3Cc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C28H26Cl2N4O2/c1-36-22-11-5-18(6-12-22)15-31-28(35)20-9-7-19(8-10-20)27-26-24(32-17-33-26)13-14-34(27)16-21-3-2-4-23(29)25(21)30/h2-12,17,27H,13-16H2,1H3,(H,31,35)(H,32,33)
InChIKeyXWZLOENAKILRNI-UHFFFAOYSA-N
MW521.45 g/mol
LogP5.80
Rot. Bonds7

About 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide

4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 16729606) has the molecular formula C28H26Cl2N4O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID16729606
Molecular FormulaC28H26Cl2N4O2
Molecular Weight521.45 g/mol
Exact Mass520.14
IUPAC Name4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C3c4nc[nH]c4CCN3Cc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C28H26Cl2N4O2/c1-36-22-11-5-18(6-12-22)15-31-28(35)20-9-7-19(8-10-20)27-26-24(32-17-33-26)13-14-34(27)16-21-3-2-4-23(29)25(21)30/h2-12,17,27H,13-16H2,1H3,(H,31,35)(H,32,33)
InChIKeyXWZLOENAKILRNI-UHFFFAOYSA-N
XLogP5.80
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzamide
CID 16729609
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92588449
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
N-[(4-methoxyphenyl)methyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53023090
4-chloro-N-[(4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7959660
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 87045977
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
N-[4-[(4R)-5-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95212717

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 16729606) is 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(C3c4nc[nH]c4CCN3Cc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is XWZLOENAKILRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O2/c1-36-22-11-5-18(6-12-22)15-31-28(35)20-9-7-19(8-10-20)27-26-24(32-17-33-26)13-14-34(27)16-21-3-2-4-23(29)25(21)30/h2-12,17,27H,13-16H2,1H3,(H,31,35)(H,32,33).
What are the key properties of 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide?
4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 521.45 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2,3-dichlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 16729606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).