1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

C21H21N5O2S — CID 18414206

IUPAC1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESO=c1nc(-c2ccc3c(c2)ncn3-c2ccsc2)ccn1CCN1CCOCC1
InChIInChI=1S/C21H21N5O2S/c27-21-23-18(3-5-25(21)7-6-24-8-10-28-11-9-24)16-1-2-20-19(13-16)22-15-26(20)17-4-12-29-14-17/h1-5,12-15H,6-11H2
InChIKeyCBZKGUHSDKPUTP-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.64
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one

1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (PubChem CID 18414206) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
PubChem CID18414206
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one
SMILESO=c1nc(-c2ccc3c(c2)ncn3-c2ccsc2)ccn1CCN1CCOCC1
InChIInChI=1S/C21H21N5O2S/c27-21-23-18(3-5-25(21)7-6-24-8-10-28-11-9-24)16-1-2-20-19(13-16)22-15-26(20)17-4-12-29-14-17/h1-5,12-15H,6-11H2
InChIKeyCBZKGUHSDKPUTP-UHFFFAOYSA-N
XLogP2.64
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one (CID 18414206) is 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is O=c1nc(-c2ccc3c(c2)ncn3-c2ccsc2)ccn1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
The InChIKey is CBZKGUHSDKPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-21-23-18(3-5-25(21)7-6-24-8-10-28-11-9-24)16-1-2-20-19(13-16)22-15-26(20)17-4-12-29-14-17/h1-5,12-15H,6-11H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one?
1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one has a molecular weight of 407.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-4-(1-thiophen-3-ylbenzimidazol-5-yl)pyrimidin-2-one is sourced from PubChem (CID 18414206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).