7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one

C17H25N3O — CID 116550162

IUPAC7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
SMILESCCCn1c(CC(=O)CCCCCN)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-12-20-16-10-6-5-9-15(16)19-17(20)13-14(21)8-4-3-7-11-18/h5-6,9-10H,2-4,7-8,11-13,18H2,1H3
InChIKeyYGWMPDXDZSDBIL-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds9

About 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one

7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one (PubChem CID 116550162) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one.

Molecular Properties

Compound Name7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
PubChem CID116550162
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one
SMILESCCCn1c(CC(=O)CCCCCN)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-2-12-20-16-10-6-5-9-15(16)19-17(20)13-14(21)8-4-3-7-11-18/h5-6,9-10H,2-4,7-8,11-13,18H2,1H3
InChIKeyYGWMPDXDZSDBIL-UHFFFAOYSA-N
XLogP3.08
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.08
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

6-amino-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 116572144
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
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
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
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 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one?
The IUPAC name of 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one (CID 116550162) is 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one.
What is the SMILES notation for 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one?
The canonical SMILES for 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one is CCCn1c(CC(=O)CCCCCN)nc2ccccc21.
What is the InChIKey of 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one?
The InChIKey is YGWMPDXDZSDBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-12-20-16-10-6-5-9-15(16)19-17(20)13-14(21)8-4-3-7-11-18/h5-6,9-10H,2-4,7-8,11-13,18H2,1H3.
What are the key properties of 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one?
7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(1-propylbenzimidazol-2-yl)heptan-2-one is sourced from PubChem (CID 116550162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).