2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline

C18H19BrN4S — CID 10525202

IUPAC2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
SMILESCc1cc(Br)cnc1-n1ccnc1SCc1ccccc1N(C)C
InChIInChI=1S/C18H19BrN4S/c1-13-10-15(19)11-21-17(13)23-9-8-20-18(23)24-12-14-6-4-5-7-16(14)22(2)3/h4-11H,12H2,1-3H3
InChIKeyMJNNUDLTYICZGD-UHFFFAOYSA-N
MW403.35 g/mol
LogP4.70
Rot. Bonds5

About 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline

2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline (PubChem CID 10525202) has the molecular formula C18H19BrN4S and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
PubChem CID10525202
Molecular FormulaC18H19BrN4S
Molecular Weight403.35 g/mol
Exact Mass402.05
IUPAC Name2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
SMILESCc1cc(Br)cnc1-n1ccnc1SCc1ccccc1N(C)C
InChIInChI=1S/C18H19BrN4S/c1-13-10-15(19)11-21-17(13)23-9-8-20-18(23)24-12-14-6-4-5-7-16(14)22(2)3/h4-11H,12H2,1-3H3
InChIKeyMJNNUDLTYICZGD-UHFFFAOYSA-N
XLogP4.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707
N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
CID 10663763
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
2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 10500324
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
3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 62286545
N,N-dimethyl-2-[(3-pyridin-2-yl-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl)sulfanylmethyl]aniline
CID 10807800
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029
N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10759607
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline (CID 10525202) is 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline is Cc1cc(Br)cnc1-n1ccnc1SCc1ccccc1N(C)C.
What is the InChIKey of 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
The InChIKey is MJNNUDLTYICZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4S/c1-13-10-15(19)11-21-17(13)23-9-8-20-18(23)24-12-14-6-4-5-7-16(14)22(2)3/h4-11H,12H2,1-3H3.
What are the key properties of 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline?
2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline has a molecular weight of 403.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-bromo-3-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 10525202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).