N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline

C18H20N4S — CID 10663763

IUPACN,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
SMILESCc1cccc(-n2ccnc2SCc2ccccc2N(C)C)n1
InChIInChI=1S/C18H20N4S/c1-14-7-6-10-17(20-14)22-12-11-19-18(22)23-13-15-8-4-5-9-16(15)21(2)3/h4-12H,13H2,1-3H3
InChIKeyWUMWZBKULBOWHF-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.93
Rot. Bonds5

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

N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline (PubChem CID 10663763) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
PubChem CID10663763
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
SMILESCc1cccc(-n2ccnc2SCc2ccccc2N(C)C)n1
InChIInChI=1S/C18H20N4S/c1-14-7-6-10-17(20-14)22-12-11-19-18(22)23-13-15-8-4-5-9-16(15)21(2)3/h4-12H,13H2,1-3H3
InChIKeyWUMWZBKULBOWHF-UHFFFAOYSA-N
XLogP3.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10521004
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10713134
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
N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
CID 10807800
N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 56795371
N-[2-[(1-pyridin-2-ylimidazol-2-yl)sulfanylmethyl]phenyl]propanamide
CID 14459120
1-methyl-2-[(2-methylphenyl)methylsulfanyl]imidazole
CID 5063073
2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 10500324
2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10359232
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
CID 10571203
N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10759607

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline (CID 10663763) is N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline is Cc1cccc(-n2ccnc2SCc2ccccc2N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline?
The InChIKey is WUMWZBKULBOWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-14-7-6-10-17(20-14)22-12-11-19-18(22)23-13-15-8-4-5-9-16(15)21(2)3/h4-12H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline?
N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline has a molecular weight of 324.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline is sourced from PubChem (CID 10663763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).