5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one

C16H23N3O — CID 116595070

IUPAC5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
SMILESCCCn1c(CC(=O)C(C)CCN)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-10-19-14-7-5-4-6-13(14)18-16(19)11-15(20)12(2)8-9-17/h4-7,12H,3,8-11,17H2,1-2H3
InChIKeyDYFAKXIQYNERCJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one

5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one (PubChem CID 116595070) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
PubChem CID116595070
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
SMILESCCCn1c(CC(=O)C(C)CCN)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-3-10-19-14-7-5-4-6-13(14)18-16(19)11-15(20)12(2)8-9-17/h4-7,12H,3,8-11,17H2,1-2H3
InChIKeyDYFAKXIQYNERCJ-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898
6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 116572144
7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
CID 116550162
1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
CID 116591103
1-(1-ethylbenzimidazol-2-yl)-3-propylhexan-2-one
CID 115782747
1-(1-ethylbenzimidazol-2-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587001
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one
CID 116574212
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The IUPAC name of 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one (CID 116595070) is 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The canonical SMILES for 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one is CCCn1c(CC(=O)C(C)CCN)nc2ccccc21.
What is the InChIKey of 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
The InChIKey is DYFAKXIQYNERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-10-19-14-7-5-4-6-13(14)18-16(19)11-15(20)12(2)8-9-17/h4-7,12H,3,8-11,17H2,1-2H3.
What are the key properties of 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one?
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116595070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).