2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C17H14N4S — CID 38511832

IUPAC2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-n2ccnc2SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H14N4S/c1-2-6-15(7-3-1)21-11-9-18-17(21)22-13-14-12-20-10-5-4-8-16(20)19-14/h1-12H,13H2
InChIKeyUXUWOAQSBKUCKG-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.81
Rot. Bonds4

About 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 38511832) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID38511832
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-n2ccnc2SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H14N4S/c1-2-6-15(7-3-1)21-11-9-18-17(21)22-13-14-12-20-10-5-4-8-16(20)19-14/h1-12H,13H2
InChIKeyUXUWOAQSBKUCKG-UHFFFAOYSA-N
XLogP3.81
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38015813
2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 112787271
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
5-phenyl-3-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
CID 71898773
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746
1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
CID 51280131

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 38511832) is 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is c1ccc(-n2ccnc2SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is UXUWOAQSBKUCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-6-15(7-3-1)21-11-9-18-17(21)22-13-14-12-20-10-5-4-8-16(20)19-14/h1-12H,13H2.
What are the key properties of 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 306.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 38511832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).