5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

C10H10BrN3OS — CID 63236222

IUPAC5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c1-14-5-4-12-9(14)6-13-10(15)7-2-3-8(11)16-7/h2-5H,6H2,1H3,(H,13,15)
InChIKeyFTVKZGISBTYQDP-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.17
Rot. Bonds3

About 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide

5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 63236222) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID63236222
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS/c1-14-5-4-12-9(14)6-13-10(15)7-2-3-8(11)16-7/h2-5H,6H2,1H3,(H,13,15)
InChIKeyFTVKZGISBTYQDP-UHFFFAOYSA-N
XLogP2.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
3-[5-[(1-methylimidazol-2-yl)methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76994691
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
5-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 166284932
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 63236222) is 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is Cn1ccnc1CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FTVKZGISBTYQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-5-4-12-9(14)6-13-10(15)7-2-3-8(11)16-7/h2-5H,6H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 63236222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).