1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile

C14H16N4O — CID 115245288

IUPAC1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNCc2ccc3[nH]c(=O)[nH]c3c2)CCC1
InChIInChI=1S/C14H16N4O/c15-8-14(4-1-5-14)9-16-7-10-2-3-11-12(6-10)18-13(19)17-11/h2-3,6,16H,1,4-5,7,9H2,(H2,17,18,19)
InChIKeyNLXANBPSSUJTCS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds4

About 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile

1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile (PubChem CID 115245288) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
PubChem CID115245288
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNCc2ccc3[nH]c(=O)[nH]c3c2)CCC1
InChIInChI=1S/C14H16N4O/c15-8-14(4-1-5-14)9-16-7-10-2-3-11-12(6-10)18-13(19)17-11/h2-3,6,16H,1,4-5,7,9H2,(H2,17,18,19)
InChIKeyNLXANBPSSUJTCS-UHFFFAOYSA-N
XLogP1.64
TPSA84.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylbenzimidazolone
CID 223134
5-(aminomethyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 757168
Cambridge id 5351356
CID 755066
5-(aminomethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
CID 16189454
1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-4-carbonitrile
CID 71446052
5-(1-aminoethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 42945028
2-Oxo-2,3-dihydro-1H-benzimidazole-5-carbonitrile
CID 11643974
5-Aminomethyl-1,3-dihydro-benzoimidazol-2-one
CID 1154237
N-[2-amino-5-(cyclopenten-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71465775
N-(2-amino-5-ethenylphenyl)pyrrolidine-1-carboxamide
CID 71465848
N-[2-amino-5-(cyclohexen-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 89183258
1-[4-(aminomethyl)phenyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 70094374

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile (CID 115245288) is 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile is N#CC1(CNCc2ccc3[nH]c(=O)[nH]c3c2)CCC1.
What is the InChIKey of 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile?
The InChIKey is NLXANBPSSUJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-14(4-1-5-14)9-16-7-10-2-3-11-12(6-10)18-13(19)17-11/h2-3,6,16H,1,4-5,7,9H2,(H2,17,18,19).
What are the key properties of 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile?
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).