2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline

C19H22N4OS — CID 10713134

IUPAC2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
SMILESCOc1cc(C)nc(-n2ccnc2SCc2ccccc2N(C)C)c1
InChIInChI=1S/C19H22N4OS/c1-14-11-16(24-4)12-18(21-14)23-10-9-20-19(23)25-13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3
InChIKeyWSRDSKKTXONRPF-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.94
Rot. Bonds6

About 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline

2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline (PubChem CID 10713134) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
PubChem CID10713134
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
SMILESCOc1cc(C)nc(-n2ccnc2SCc2ccccc2N(C)C)c1
InChIInChI=1S/C19H22N4OS/c1-14-11-16(24-4)12-18(21-14)23-10-9-20-19(23)25-13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3
InChIKeyWSRDSKKTXONRPF-UHFFFAOYSA-N
XLogP3.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10521004
N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
CID 10663763
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
CID 10571203
N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707
2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10525202
3-chloro-2-[[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-4-methylquinoline
CID 18288579
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 56795371
N-ethyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 41473322
N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
CID 10807800
3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 33232773
5-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 31057163

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline (CID 10713134) is 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline is COc1cc(C)nc(-n2ccnc2SCc2ccccc2N(C)C)c1.
What is the InChIKey of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The InChIKey is WSRDSKKTXONRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-11-16(24-4)12-18(21-14)23-10-9-20-19(23)25-13-15-7-5-6-8-17(15)22(2)3/h5-12H,13H2,1-4H3.
What are the key properties of 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline has a molecular weight of 354.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 10713134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).