1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone

C18H19ClN6O2 — CID 67971508

IUPAC1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone
SMILESCn1c(-c2nc(N3CCN(C(=O)CO)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN6O2/c1-23-14-5-3-2-4-13(14)21-17(23)16-12(19)10-20-18(22-16)25-8-6-24(7-9-25)15(27)11-26/h2-5,10,26H,6-9,11H2,1H3
InChIKeyHANNMERBENRXRW-UHFFFAOYSA-N
MW386.84 g/mol
LogP1.32
Rot. Bonds3

About 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone

1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 67971508) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID67971508
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone
SMILESCn1c(-c2nc(N3CCN(C(=O)CO)CC3)ncc2Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN6O2/c1-23-14-5-3-2-4-13(14)21-17(23)16-12(19)10-20-18(22-16)25-8-6-24(7-9-25)15(27)11-26/h2-5,10,26H,6-9,11H2,1H3
InChIKeyHANNMERBENRXRW-UHFFFAOYSA-N
XLogP1.32
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone (CID 67971508) is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone is Cn1c(-c2nc(N3CCN(C(=O)CO)CC3)ncc2Cl)nc2ccccc21.
What is the InChIKey of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is HANNMERBENRXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-23-14-5-3-2-4-13(14)21-17(23)16-12(19)10-20-18(22-16)25-8-6-24(7-9-25)15(27)11-26/h2-5,10,26H,6-9,11H2,1H3.
What are the key properties of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 386.84 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 67971508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).