2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone

C16H16N4O — CID 102923180

IUPAC2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
SMILESCCCn1c(CC(=O)c2cncnc2)nc2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-7-20-14-6-4-3-5-13(14)19-16(20)8-15(21)12-9-17-11-18-10-12/h3-6,9-11H,2,7-8H2,1H3
InChIKeyQTNLBMHHDODJLM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.66
Rot. Bonds5

About 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone

2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone (PubChem CID 102923180) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
PubChem CID102923180
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
SMILESCCCn1c(CC(=O)c2cncnc2)nc2ccccc21
InChIInChI=1S/C16H16N4O/c1-2-7-20-14-6-4-3-5-13(14)19-16(20)8-15(21)12-9-17-11-18-10-12/h3-6,9-11H,2,7-8H2,1H3
InChIKeyQTNLBMHHDODJLM-UHFFFAOYSA-N
XLogP2.66
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-iodothiophen-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115782049
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
CID 105371351
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(1-ethylbenzimidazol-2-yl)-1-pyrazin-2-ylethanone
CID 79753615
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898
6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 116572144

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone?
The IUPAC name of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone (CID 102923180) is 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone.
What is the SMILES notation for 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone?
The canonical SMILES for 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone is CCCn1c(CC(=O)c2cncnc2)nc2ccccc21.
What is the InChIKey of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone?
The InChIKey is QTNLBMHHDODJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-7-20-14-6-4-3-5-13(14)19-16(20)8-15(21)12-9-17-11-18-10-12/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone?
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone has a molecular weight of 280.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone is sourced from PubChem (CID 102923180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).