4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one

C14H19N3O — CID 116550850

IUPAC4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
SMILESCCCn1c(CC(=O)CCN)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-9-17-13-6-4-3-5-12(13)16-14(17)10-11(18)7-8-15/h3-6H,2,7-10,15H2,1H3
InChIKeyHONSTKAYGQWKLC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.91
Rot. Bonds6

About 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one

4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one (PubChem CID 116550850) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
PubChem CID116550850
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
SMILESCCCn1c(CC(=O)CCN)nc2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-9-17-13-6-4-3-5-12(13)16-14(17)10-11(18)7-8-15/h3-6H,2,7-10,15H2,1H3
InChIKeyHONSTKAYGQWKLC-UHFFFAOYSA-N
XLogP1.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923180
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one?
The IUPAC name of 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one (CID 116550850) is 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one.
What is the SMILES notation for 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one?
The canonical SMILES for 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one is CCCn1c(CC(=O)CCN)nc2ccccc21.
What is the InChIKey of 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one?
The InChIKey is HONSTKAYGQWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-9-17-13-6-4-3-5-12(13)16-14(17)10-11(18)7-8-15/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one?
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one is sourced from PubChem (CID 116550850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).