1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one

C15H19N3O — CID 96677057

IUPAC1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)nc(C)n2C1CC1
InChIInChI=1S/C15H19N3O/c1-10-17-13-9-11(15(19)7-8-16-2)3-6-14(13)18(10)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3
InChIKeyFIHQIEROONJLES-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.47
Rot. Bonds5

About 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one

1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one (PubChem CID 96677057) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
PubChem CID96677057
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc2c(c1)nc(C)n2C1CC1
InChIInChI=1S/C15H19N3O/c1-10-17-13-9-11(15(19)7-8-16-2)3-6-14(13)18(10)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3
InChIKeyFIHQIEROONJLES-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one (CID 96677057) is 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one is CNCCC(=O)c1ccc2c(c1)nc(C)n2C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one?
The InChIKey is FIHQIEROONJLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-17-13-9-11(15(19)7-8-16-2)3-6-14(13)18(10)12-4-5-12/h3,6,9,12,16H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one?
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 96677057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).