4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C27H25N5O2S — CID 55513843

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nccn1C
InChIInChI=1S/C27H25N5O2S/c1-31-16-14-28-26(31)25(22-7-3-4-8-23(22)34-2)30-27(33)19-10-12-21(13-11-19)35-18-20-17-32-15-6-5-9-24(32)29-20/h3-17,25H,18H2,1-2H3,(H,30,33)
InChIKeyCHWIZORQVQEJOF-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.89
Rot. Bonds8

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 55513843) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID55513843
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nccn1C
InChIInChI=1S/C27H25N5O2S/c1-31-16-14-28-26(31)25(22-7-3-4-8-23(22)34-2)30-27(33)19-10-12-21(13-11-19)35-18-20-17-32-15-6-5-9-24(32)29-20/h3-17,25H,18H2,1-2H3,(H,30,33)
InChIKeyCHWIZORQVQEJOF-UHFFFAOYSA-N
XLogP4.89
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25351615
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 24660553
N-[cyano-(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 56572139
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 55513843) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1ccccc1C(NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1nccn1C.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is CHWIZORQVQEJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-31-16-14-28-26(31)25(22-7-3-4-8-23(22)34-2)30-27(33)19-10-12-21(13-11-19)35-18-20-17-32-15-6-5-9-24(32)29-20/h3-17,25H,18H2,1-2H3,(H,30,33).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 483.60 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 55513843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).