4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one

C25H27N5O — CID 5329411

IUPAC4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one
SMILESO=c1nc(-c2ccc3c(c2)ncn3-c2ccccc2)ccn1CCCN1CCCCC1
InChIInChI=1S/C25H27N5O/c31-25-27-22(12-17-29(25)16-7-15-28-13-5-2-6-14-28)20-10-11-24-23(18-20)26-19-30(24)21-8-3-1-4-9-21/h1,3-4,8-12,17-19H,2,5-7,13-16H2
InChIKeyZJHSVHPBEQPRNP-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.13
Rot. Bonds6

About 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one

4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one (PubChem CID 5329411) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one
PubChem CID5329411
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one
SMILESO=c1nc(-c2ccc3c(c2)ncn3-c2ccccc2)ccn1CCCN1CCCCC1
InChIInChI=1S/C25H27N5O/c31-25-27-22(12-17-29(25)16-7-15-28-13-5-2-6-14-28)20-10-11-24-23(18-20)26-19-30(24)21-8-3-1-4-9-21/h1,3-4,8-12,17-19H,2,5-7,13-16H2
InChIKeyZJHSVHPBEQPRNP-UHFFFAOYSA-N
XLogP4.13
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one?
The IUPAC name of 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one (CID 5329411) is 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one.
What is the SMILES notation for 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one?
The canonical SMILES for 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one is O=c1nc(-c2ccc3c(c2)ncn3-c2ccccc2)ccn1CCCN1CCCCC1.
What is the InChIKey of 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one?
The InChIKey is ZJHSVHPBEQPRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-25-27-22(12-17-29(25)16-7-15-28-13-5-2-6-14-28)20-10-11-24-23(18-20)26-19-30(24)21-8-3-1-4-9-21/h1,3-4,8-12,17-19H,2,5-7,13-16H2.
What are the key properties of 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one?
4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one has a molecular weight of 413.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbenzimidazol-5-yl)-1-(3-piperidin-1-ylpropyl)pyrimidin-2-one is sourced from PubChem (CID 5329411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).