[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C23H24N6OS — CID 4732078

IUPAC[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCCn1c(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)s2)nc2ccccc21
InChIInChI=1S/C23H24N6OS/c1-2-12-29-18-7-4-3-6-17(18)26-21(29)19-8-9-20(31-19)22(30)27-13-15-28(16-14-27)23-24-10-5-11-25-23/h3-11H,2,12-16H2,1H3
InChIKeyXBNTZQKUROCTBI-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.93
Rot. Bonds5

About [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 4732078) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID4732078
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCCn1c(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)s2)nc2ccccc21
InChIInChI=1S/C23H24N6OS/c1-2-12-29-18-7-4-3-6-17(18)26-21(29)19-8-9-20(31-19)22(30)27-13-15-28(16-14-27)23-24-10-5-11-25-23/h3-11H,2,12-16H2,1H3
InChIKeyXBNTZQKUROCTBI-UHFFFAOYSA-N
XLogP3.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732105
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
CID 46324411
N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490

Frequently Asked Questions

What is the IUPAC name of [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 4732078) is [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCCn1c(-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)s2)nc2ccccc21.
What is the InChIKey of [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XBNTZQKUROCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-2-12-29-18-7-4-3-6-17(18)26-21(29)19-8-9-20(31-19)22(30)27-13-15-28(16-14-27)23-24-10-5-11-25-23/h3-11H,2,12-16H2,1H3.
What are the key properties of [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 432.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 4732078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).