N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine

C17H23N3OS — CID 74239795

IUPACN-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
SMILESCOc1ccc(-n2ccnc2CN(C)C2CCSCC2)cc1
InChIInChI=1S/C17H23N3OS/c1-19(14-7-11-22-12-8-14)13-17-18-9-10-20(17)15-3-5-16(21-2)6-4-15/h3-6,9-10,14H,7-8,11-13H2,1-2H3
InChIKeyXHKULDTZTOSKMB-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.21
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine

N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine (PubChem CID 74239795) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
PubChem CID74239795
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine
SMILESCOc1ccc(-n2ccnc2CN(C)C2CCSCC2)cc1
InChIInChI=1S/C17H23N3OS/c1-19(14-7-11-22-12-8-14)13-17-18-9-10-20(17)15-3-5-16(21-2)6-4-15/h3-6,9-10,14H,7-8,11-13H2,1-2H3
InChIKeyXHKULDTZTOSKMB-UHFFFAOYSA-N
XLogP3.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
CID 172687865
CID 172687865
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46994572
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77088238
[(1R,2R,4S)-2-ethyl-7-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methanol
CID 146039534
3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74249928
(3R,8aS)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 138383366
N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-3-ylmethyl)acetamide
CID 47502733
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
CID 26394300
(NE)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methylidene]hydroxylamine
CID 137167926
N-cyclohexyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 46625428

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine (CID 74239795) is N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine is COc1ccc(-n2ccnc2CN(C)C2CCSCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine?
The InChIKey is XHKULDTZTOSKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-19(14-7-11-22-12-8-14)13-17-18-9-10-20(17)15-3-5-16(21-2)6-4-15/h3-6,9-10,14H,7-8,11-13H2,1-2H3.
What are the key properties of N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine?
N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine has a molecular weight of 317.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methylthian-4-amine is sourced from PubChem (CID 74239795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).