1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

C20H21N5OS — CID 18414257

IUPAC1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESCC(Cn1cc(-c2ccc3c(c2)ncn3-c2ccsc2)cnc1=O)N(C)C
InChIInChI=1S/C20H21N5OS/c1-14(23(2)3)10-24-11-16(9-21-20(24)26)15-4-5-19-18(8-15)22-13-25(19)17-6-7-27-12-17/h4-9,11-14H,10H2,1-3H3
InChIKeyQDZXSPKXDBJLII-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (PubChem CID 18414257) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
PubChem CID18414257
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESCC(Cn1cc(-c2ccc3c(c2)ncn3-c2ccsc2)cnc1=O)N(C)C
InChIInChI=1S/C20H21N5OS/c1-14(23(2)3)10-24-11-16(9-21-20(24)26)15-4-5-19-18(8-15)22-13-25(19)17-6-7-27-12-17/h4-9,11-14H,10H2,1-3H3
InChIKeyQDZXSPKXDBJLII-UHFFFAOYSA-N
XLogP3.26
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (CID 18414257) is 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is CC(Cn1cc(-c2ccc3c(c2)ncn3-c2ccsc2)cnc1=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The InChIKey is QDZXSPKXDBJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-14(23(2)3)10-24-11-16(9-21-20(24)26)15-4-5-19-18(8-15)22-13-25(19)17-6-7-27-12-17/h4-9,11-14H,10H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one has a molecular weight of 379.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)propyl]-5-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is sourced from PubChem (CID 18414257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).