2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C21H20N4S — CID 112787271

IUPAC2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-n2c(SCc3cn4ccccc4n3)nc3c2CCCC3)cc1
InChIInChI=1S/C21H20N4S/c1-2-8-17(9-3-1)25-19-11-5-4-10-18(19)23-21(25)26-15-16-14-24-13-7-6-12-20(24)22-16/h1-3,6-9,12-14H,4-5,10-11,15H2
InChIKeyJFNWZACVUGPKHD-UHFFFAOYSA-N
MW360.49 g/mol
LogP4.69
Rot. Bonds4

About 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 112787271) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID112787271
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-n2c(SCc3cn4ccccc4n3)nc3c2CCCC3)cc1
InChIInChI=1S/C21H20N4S/c1-2-8-17(9-3-1)25-19-11-5-4-10-18(19)23-21(25)26-15-16-14-24-13-7-6-12-20(24)22-16/h1-3,6-9,12-14H,4-5,10-11,15H2
InChIKeyJFNWZACVUGPKHD-UHFFFAOYSA-N
XLogP4.69
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 112779520
3-methyl-7-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8002302
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 7249950
2-(4-bromophenyl)-5-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29324778
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]acetamide
CID 40511109
2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 7171593
2-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 8849747

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 112787271) is 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is c1ccc(-n2c(SCc3cn4ccccc4n3)nc3c2CCCC3)cc1.
What is the InChIKey of 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is JFNWZACVUGPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-2-8-17(9-3-1)25-19-11-5-4-10-18(19)23-21(25)26-15-16-14-24-13-7-6-12-20(24)22-16/h1-3,6-9,12-14H,4-5,10-11,15H2.
What are the key properties of 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 360.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 112787271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).