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

C14H20N4O — CID 115214209

IUPAC5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(Cc1ccc2[nH]c(=O)[nH]c2c1)CC1CC(N)C1
InChIInChI=1S/C14H20N4O/c1-18(8-10-4-11(15)5-10)7-9-2-3-12-13(6-9)17-14(19)16-12/h2-3,6,10-11H,4-5,7-8,15H2,1H3,(H2,16,17,19)
InChIKeyHQBRANSGTNBVEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.03
Rot. Bonds4

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

5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115214209) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115214209
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(Cc1ccc2[nH]c(=O)[nH]c2c1)CC1CC(N)C1
InChIInChI=1S/C14H20N4O/c1-18(8-10-4-11(15)5-10)7-9-2-3-12-13(6-9)17-14(19)16-12/h2-3,6,10-11H,4-5,7-8,15H2,1H3,(H2,16,17,19)
InChIKeyHQBRANSGTNBVEB-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Sumanirole
CID 9818479
(5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one
CID 132955
1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
5-Methylbenzimidazolone
CID 223134
N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
CID 130870
R 79882
CID 127665
1,3-Dihydro-1-(3-methylbutyl)-2H-benzimidazol-2-one
CID 709667
5-(aminomethyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 757168
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
(11S)-7,11-dimethyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
CID 460862
5-(Dipropylamino)-5,6-dihydro-4H-imidazo-(5,1ij)quinolin-2(1H)-one
CID 131559

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 115214209) is 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one is CN(Cc1ccc2[nH]c(=O)[nH]c2c1)CC1CC(N)C1.
What is the InChIKey of 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HQBRANSGTNBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(8-10-4-11(15)5-10)7-9-2-3-12-13(6-9)17-14(19)16-12/h2-3,6,10-11H,4-5,7-8,15H2,1H3,(H2,16,17,19).
What are the key properties of 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115214209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).