5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

C15H22N4O — CID 62977011

IUPAC5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCCN(C)C1CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-10(16-7-8-19(2)12-4-5-12)11-3-6-13-14(9-11)18-15(20)17-13/h3,6,9-10,12,16H,4-5,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyWLLQDGJWGMUFHB-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.60
Rot. Bonds6

About 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62977011) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62977011
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCCN(C)C1CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H22N4O/c1-10(16-7-8-19(2)12-4-5-12)11-3-6-13-14(9-11)18-15(20)17-13/h3,6,9-10,12,16H,4-5,7-8H2,1-2H3,(H2,17,18,20)
InChIKeyWLLQDGJWGMUFHB-UHFFFAOYSA-N
XLogP1.60
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103911495
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
5-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103910694
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63314707

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 62977011) is 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCCN(C)C1CC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WLLQDGJWGMUFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(16-7-8-19(2)12-4-5-12)11-3-6-13-14(9-11)18-15(20)17-13/h3,6,9-10,12,16H,4-5,7-8H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 274.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62977011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).