2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine

C16H19N5 — CID 79756292

IUPAC2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
SMILESCCCn1c(CC(N)c2ncccn2)nc2ccccc21
InChIInChI=1S/C16H19N5/c1-2-10-21-14-7-4-3-6-13(14)20-15(21)11-12(17)16-18-8-5-9-19-16/h3-9,12H,2,10-11,17H2,1H3
InChIKeyQBFQZQSKYUOJSP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.48
Rot. Bonds5

About 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine

2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 79756292) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
PubChem CID79756292
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
SMILESCCCn1c(CC(N)c2ncccn2)nc2ccccc21
InChIInChI=1S/C16H19N5/c1-2-10-21-14-7-4-3-6-13(14)20-15(21)11-12(17)16-18-8-5-9-19-16/h3-9,12H,2,10-11,17H2,1H3
InChIKeyQBFQZQSKYUOJSP-UHFFFAOYSA-N
XLogP2.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
2-(1-ethylbenzimidazol-2-yl)-1-pyridin-2-ylethanamine
CID 79753548
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
2-(1-ethylbenzimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79756634
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
CID 79751264
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
2-(1-propylbenzimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79755891

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine (CID 79756292) is 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine is CCCn1c(CC(N)c2ncccn2)nc2ccccc21.
What is the InChIKey of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is QBFQZQSKYUOJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-10-21-14-7-4-3-6-13(14)20-15(21)11-12(17)16-18-8-5-9-19-16/h3-9,12H,2,10-11,17H2,1H3.
What are the key properties of 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 79756292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).