N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

C21H18BrN3OS — CID 4732064

IUPACN-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(-c2ccc(C(=O)Nc3ccc(Br)cc3)s2)nc2ccccc21
InChIInChI=1S/C21H18BrN3OS/c1-2-13-25-17-6-4-3-5-16(17)24-20(25)18-11-12-19(27-18)21(26)23-15-9-7-14(22)8-10-15/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyCRROWKLTIIUFHB-UHFFFAOYSA-N
MW440.37 g/mol
LogP6.19
Rot. Bonds5

About N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 4732064) has the molecular formula C21H18BrN3OS and a molecular weight of 440.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID4732064
Molecular FormulaC21H18BrN3OS
Molecular Weight440.37 g/mol
Exact Mass439.04
IUPAC NameN-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(-c2ccc(C(=O)Nc3ccc(Br)cc3)s2)nc2ccccc21
InChIInChI=1S/C21H18BrN3OS/c1-2-13-25-17-6-4-3-5-16(17)24-20(25)18-11-12-19(27-18)21(26)23-15-9-7-14(22)8-10-15/h3-12H,2,13H2,1H3,(H,23,26)
InChIKeyCRROWKLTIIUFHB-UHFFFAOYSA-N
XLogP6.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.37
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732004
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
N-(2-bromophenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731778
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4224270
5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
CID 4731905
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 4732064) is N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is CCCn1c(-c2ccc(C(=O)Nc3ccc(Br)cc3)s2)nc2ccccc21.
What is the InChIKey of N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CRROWKLTIIUFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3OS/c1-2-13-25-17-6-4-3-5-16(17)24-20(25)18-11-12-19(27-18)21(26)23-15-9-7-14(22)8-10-15/h3-12H,2,13H2,1H3,(H,23,26).
What are the key properties of N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 440.37 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4732064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).