5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one

C14H20N4O — CID 115245729

IUPAC5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CC1(CN)CCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-18(9-14(8-15)5-2-6-14)10-3-4-11-12(7-10)17-13(19)16-11/h3-4,7H,2,5-6,8-9,15H2,1H3,(H2,16,17,19)
InChIKeyPUAWFLOEZLITFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds4

About 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one

5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115245729) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115245729
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CC1(CN)CCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H20N4O/c1-18(9-14(8-15)5-2-6-14)10-3-4-11-12(7-10)17-13(19)16-11/h3-4,7H,2,5-6,8-9,15H2,1H3,(H2,16,17,19)
InChIKeyPUAWFLOEZLITFM-UHFFFAOYSA-N
XLogP1.42
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
CID 115245714
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115243960
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one (CID 115245729) is 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one is CN(CC1(CN)CCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PUAWFLOEZLITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(9-14(8-15)5-2-6-14)10-3-4-11-12(7-10)17-13(19)16-11/h3-4,7H,2,5-6,8-9,15H2,1H3,(H2,16,17,19).
What are the key properties of 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115245729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).