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

C17H25N3O — CID 106826902

IUPAC5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1(C)CCCCC1
InChIInChI=1S/C17H25N3O/c1-3-18-15(17(2)9-5-4-6-10-17)12-7-8-13-14(11-12)20-16(21)19-13/h7-8,11,15,18H,3-6,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyDKLGXQKHIXGXKV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.48
Rot. Bonds4

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

5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 106826902) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID106826902
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1(C)CCCCC1
InChIInChI=1S/C17H25N3O/c1-3-18-15(17(2)9-5-4-6-10-17)12-7-8-13-14(11-12)20-16(21)19-13/h7-8,11,15,18H,3-6,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyDKLGXQKHIXGXKV-UHFFFAOYSA-N
XLogP3.48
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[ethylamino-(1-methylcyclohexyl)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

Related Compounds

N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116961253
5-[ethylamino-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490686
5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107177387
N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830625
N-[(1-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 105021674
N-[(1-methylcyclopentyl)-quinolin-6-ylmethyl]ethanamine
CID 105021107
5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
CID 43490689
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774

Frequently Asked Questions

What is the IUPAC name of 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 106826902) is 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one is CCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1(C)CCCCC1.
What is the InChIKey of 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DKLGXQKHIXGXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-15(17(2)9-5-4-6-10-17)12-7-8-13-14(11-12)20-16(21)19-13/h7-8,11,15,18H,3-6,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 106826902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).