2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide

C16H20BrN3OS — CID 24500840

IUPAC2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
SMILESCC(Sc1nccn1-c1ccc(Br)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H20BrN3OS/c1-11(14(21)19-16(2,3)4)22-15-18-9-10-20(15)13-7-5-12(17)6-8-13/h5-11H,1-4H3,(H,19,21)
InChIKeyMXVCUORBADHJIP-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide

2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide (PubChem CID 24500840) has the molecular formula C16H20BrN3OS and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
PubChem CID24500840
Molecular FormulaC16H20BrN3OS
Molecular Weight382.33 g/mol
Exact Mass381.05
IUPAC Name2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide
SMILESCC(Sc1nccn1-c1ccc(Br)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H20BrN3OS/c1-11(14(21)19-16(2,3)4)22-15-18-9-10-20(15)13-7-5-12(17)6-8-13/h5-11H,1-4H3,(H,19,21)
InChIKeyMXVCUORBADHJIP-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327
N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
CID 46812896
4-[[(2R)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]amino]benzamide
CID 40809539
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 43027335
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46812967
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24500843
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46695811
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
CID 46675872
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide?
The IUPAC name of 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide (CID 24500840) is 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide?
The canonical SMILES for 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide is CC(Sc1nccn1-c1ccc(Br)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide?
The InChIKey is MXVCUORBADHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3OS/c1-11(14(21)19-16(2,3)4)22-15-18-9-10-20(15)13-7-5-12(17)6-8-13/h5-11H,1-4H3,(H,19,21).
What are the key properties of 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide?
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide has a molecular weight of 382.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-tert-butylpropanamide is sourced from PubChem (CID 24500840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).