N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide

C14H10BrN3OS — CID 99797923

IUPACN-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(-c2cccc(Br)c2)[nH]1)c1cccs1
InChIInChI=1S/C14H10BrN3OS/c15-10-4-1-3-9(7-10)11-8-16-14(17-11)18-13(19)12-5-2-6-20-12/h1-8H,(H2,16,17,18,19)
InChIKeyQKUSZOZTURDZNI-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.15
Rot. Bonds3

About N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide

N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide (PubChem CID 99797923) has the molecular formula C14H10BrN3OS and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide
PubChem CID99797923
Molecular FormulaC14H10BrN3OS
Molecular Weight348.23 g/mol
Exact Mass346.97
IUPAC NameN-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1ncc(-c2cccc(Br)c2)[nH]1)c1cccs1
InChIInChI=1S/C14H10BrN3OS/c15-10-4-1-3-9(7-10)11-8-16-14(17-11)18-13(19)12-5-2-6-20-12/h1-8H,(H2,16,17,18,19)
InChIKeyQKUSZOZTURDZNI-UHFFFAOYSA-N
XLogP4.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[5-(3-aminophenyl)-1H-imidazol-2-yl]benzamide
CID 154687118
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770
N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 9176526
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843198
N'-[2-(3-bromophenoxy)acetyl]thiophene-2-carbohydrazide
CID 35933556
N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
CID 141087470
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
5-(3-bromophenyl)-2-tert-butyl-1H-imidazole
CID 59836686
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 94829119
N-[5-[3-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-1H-imidazol-2-yl]benzamide
CID 154687110

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide (CID 99797923) is N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide is O=C(Nc1ncc(-c2cccc(Br)c2)[nH]1)c1cccs1.
What is the InChIKey of N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is QKUSZOZTURDZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS/c15-10-4-1-3-9(7-10)11-8-16-14(17-11)18-13(19)12-5-2-6-20-12/h1-8H,(H2,16,17,18,19).
What are the key properties of N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide?
N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 99797923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).