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

C19H22N4S — CID 10521004

IUPAC2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
SMILESCc1cc(C)nc(-n2ccnc2SCc2ccccc2N(C)C)c1
InChIInChI=1S/C19H22N4S/c1-14-11-15(2)21-18(12-14)23-10-9-20-19(23)24-13-16-7-5-6-8-17(16)22(3)4/h5-12H,13H2,1-4H3
InChIKeyKBVPWHHOUHFJDD-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.24
Rot. Bonds5

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

2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline (PubChem CID 10521004) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
PubChem CID10521004
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
SMILESCc1cc(C)nc(-n2ccnc2SCc2ccccc2N(C)C)c1
InChIInChI=1S/C19H22N4S/c1-14-11-15(2)21-18(12-14)23-10-9-20-19(23)24-13-16-7-5-6-8-17(16)22(3)4/h5-12H,13H2,1-4H3
InChIKeyKBVPWHHOUHFJDD-UHFFFAOYSA-N
XLogP4.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10713134
N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
CID 10663763
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
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
CID 10571203
N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 56795371
N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
CID 10807800
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 10500324
N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10759607
2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10359232
N-[2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]phenyl]methanesulfonamide
CID 14459138

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline (CID 10521004) is 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline is Cc1cc(C)nc(-n2ccnc2SCc2ccccc2N(C)C)c1.
What is the InChIKey of 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The InChIKey is KBVPWHHOUHFJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-14-11-15(2)21-18(12-14)23-10-9-20-19(23)24-13-16-7-5-6-8-17(16)22(3)4/h5-12H,13H2,1-4H3.
What are the key properties of 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline has a molecular weight of 338.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 10521004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).