6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one

C16H23N3O — CID 116572144

IUPAC6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
SMILESCCCn1c(CC(=O)CCCCN)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-11-19-15-9-4-3-8-14(15)18-16(19)12-13(20)7-5-6-10-17/h3-4,8-9H,2,5-7,10-12,17H2,1H3
InChIKeyTZNNJGJHMLLJRO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds8

About 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one

6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one (PubChem CID 116572144) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
PubChem CID116572144
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
SMILESCCCn1c(CC(=O)CCCCN)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-2-11-19-15-9-4-3-8-14(15)18-16(19)12-13(20)7-5-6-10-17/h3-4,8-9H,2,5-7,10-12,17H2,1H3
InChIKeyTZNNJGJHMLLJRO-UHFFFAOYSA-N
XLogP2.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
CID 116550162
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
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
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
The IUPAC name of 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one (CID 116572144) is 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
The canonical SMILES for 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one is CCCn1c(CC(=O)CCCCN)nc2ccccc21.
What is the InChIKey of 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
The InChIKey is TZNNJGJHMLLJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-11-19-15-9-4-3-8-14(15)18-16(19)12-13(20)7-5-6-10-17/h3-4,8-9H,2,5-7,10-12,17H2,1H3.
What are the key properties of 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one?
6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one is sourced from PubChem (CID 116572144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).