N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide

C17H19N5OS — CID 72918065

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCSc1ncc(CNC(=O)Cn2ccnc2-c2ccccc2)n1C
InChIInChI=1S/C17H19N5OS/c1-21-14(11-20-17(21)24-2)10-19-15(23)12-22-9-8-18-16(22)13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H,19,23)
InChIKeySUOOIBVHNPVCKM-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.32
Rot. Bonds6

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 72918065) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID72918065
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCSc1ncc(CNC(=O)Cn2ccnc2-c2ccccc2)n1C
InChIInChI=1S/C17H19N5OS/c1-21-14(11-20-17(21)24-2)10-19-15(23)12-22-9-8-18-16(22)13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H,19,23)
InChIKeySUOOIBVHNPVCKM-UHFFFAOYSA-N
XLogP2.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72872117
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70776573
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 131942207
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72866318
3-(1H-indol-3-yl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]propanamide
CID 91765313
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72928761
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
2-(2-phenylimidazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 72927386
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 72901054

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide (CID 72918065) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide is CSc1ncc(CNC(=O)Cn2ccnc2-c2ccccc2)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is SUOOIBVHNPVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21-14(11-20-17(21)24-2)10-19-15(23)12-22-9-8-18-16(22)13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 72918065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).