N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

C20H17ClN4OS — CID 4732047

IUPACN-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cn3)s2)nc2ccccc21
InChIInChI=1S/C20H17ClN4OS/c1-2-11-25-15-6-4-3-5-14(15)23-19(25)16-8-9-17(27-16)20(26)24-18-10-7-13(21)12-22-18/h3-10,12H,2,11H2,1H3,(H,22,24,26)
InChIKeyQZYUQPKVNXXCGB-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.48
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (PubChem CID 4732047) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
PubChem CID4732047
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
SMILESCCCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cn3)s2)nc2ccccc21
InChIInChI=1S/C20H17ClN4OS/c1-2-11-25-15-6-4-3-5-14(15)23-19(25)16-8-9-17(27-16)20(26)24-18-10-7-13(21)12-22-18/h3-10,12H,2,11H2,1H3,(H,22,24,26)
InChIKeyQZYUQPKVNXXCGB-UHFFFAOYSA-N
XLogP5.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732004
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
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
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
5-(1-ethylbenzimidazol-2-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4711380
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide (CID 4732047) is N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is CCCn1c(-c2ccc(C(=O)Nc3ccc(Cl)cn3)s2)nc2ccccc21.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QZYUQPKVNXXCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-2-11-25-15-6-4-3-5-14(15)23-19(25)16-8-9-17(27-16)20(26)24-18-10-7-13(21)12-22-18/h3-10,12H,2,11H2,1H3,(H,22,24,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4732047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).