5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one

C14H19N3O — CID 43490686

IUPAC5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CC1C
InChIInChI=1S/C14H19N3O/c1-3-15-13(10-6-8(10)2)9-4-5-11-12(7-9)17-14(18)16-11/h4-5,7-8,10,13,15H,3,6H2,1-2H3,(H2,16,17,18)
InChIKeyLZGLFDIRDAKMGY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds4

About 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43490686) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43490686
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CC1C
InChIInChI=1S/C14H19N3O/c1-3-15-13(10-6-8(10)2)9-4-5-11-12(7-9)17-14(18)16-11/h4-5,7-8,10,13,15H,3,6H2,1-2H3,(H2,16,17,18)
InChIKeyLZGLFDIRDAKMGY-UHFFFAOYSA-N
XLogP2.16
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43490686) is 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one is CCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CC1C.
What is the InChIKey of 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LZGLFDIRDAKMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-15-13(10-6-8(10)2)9-4-5-11-12(7-9)17-14(18)16-11/h4-5,7-8,10,13,15H,3,6H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43490686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).