(3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C11H11BrN2OS — CID 3245799

IUPAC(3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c1-16-11-13-5-6-14(11)10(15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3
InChIKeyGXMQSTIEDMNZRS-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.62
Rot. Bonds1

About (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3245799) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3245799
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name(3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCSC1=NCCN1C(=O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c1-16-11-13-5-6-14(11)10(15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3
InChIKeyGXMQSTIEDMNZRS-UHFFFAOYSA-N
XLogP2.62
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 44443139
2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 771662
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 902925
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-[4-(3-bromophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669677
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(p-tolyl)methanone
CID 3450649
Benzamide, 4-bromo-N-(4,5-dihydro-2-thiazolyl)-
CID 924606
1-(2,6-difluorobenzoyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 3243830
4-bromo-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
CID 6620704
4-Bromo-N-[1-(4,5-dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2941206
4-Bromo-N-[1-(4,5-dihydro-thiazol-2-ylcarbamoyl)-ethyl]-benzamide
CID 2942194
(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 3244879

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3245799) is (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is CSC1=NCCN1C(=O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is GXMQSTIEDMNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-16-11-13-5-6-14(11)10(15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 299.19 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3245799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).