1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole

C19H17N5OS — CID 140903652

IUPAC1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2-c1nc(OC2CCNC2)ncc1-c1ccsc1
InChIInChI=1S/C19H17N5OS/c1-2-4-17-16(3-1)22-12-24(17)18-15(13-6-8-26-11-13)10-21-19(23-18)25-14-5-7-20-9-14/h1-4,6,8,10-12,14,20H,5,7,9H2
InChIKeyXYUVLVJTIDSKPE-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole

1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole (PubChem CID 140903652) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole
PubChem CID140903652
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole
SMILESc1ccc2c(c1)ncn2-c1nc(OC2CCNC2)ncc1-c1ccsc1
InChIInChI=1S/C19H17N5OS/c1-2-4-17-16(3-1)22-12-24(17)18-15(13-6-8-26-11-13)10-21-19(23-18)25-14-5-7-20-9-14/h1-4,6,8,10-12,14,20H,5,7,9H2
InChIKeyXYUVLVJTIDSKPE-UHFFFAOYSA-N
XLogP3.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole?
The IUPAC name of 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole (CID 140903652) is 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole?
The canonical SMILES for 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole is c1ccc2c(c1)ncn2-c1nc(OC2CCNC2)ncc1-c1ccsc1.
What is the InChIKey of 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole?
The InChIKey is XYUVLVJTIDSKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-4-17-16(3-1)22-12-24(17)18-15(13-6-8-26-11-13)10-21-19(23-18)25-14-5-7-20-9-14/h1-4,6,8,10-12,14,20H,5,7,9H2.
What are the key properties of 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole?
1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole has a molecular weight of 363.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-3-yloxy-5-thiophen-3-ylpyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 140903652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).