N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide

C10H10BrN3OS — CID 103859682

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C10H10BrN3OS/c1-14-5-8(13-6-14)10(15)12-4-9-7(11)2-3-16-9/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyXGBDCJPVPMQZJM-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.17
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide (PubChem CID 103859682) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
PubChem CID103859682
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C10H10BrN3OS/c1-14-5-8(13-6-14)10(15)12-4-9-7(11)2-3-16-9/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyXGBDCJPVPMQZJM-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

N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 78985811
5-[(3-bromothiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 78925537
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 166250263
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
N-[(3-bromothiophen-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 78962520
N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 107971161

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide (CID 103859682) is N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCc2sccc2Br)c1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is XGBDCJPVPMQZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-14-5-8(13-6-14)10(15)12-4-9-7(11)2-3-16-9/h2-3,5-6H,4H2,1H3,(H,12,15).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-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 N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 103859682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).