1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile

C14H16N4 — CID 116958693

IUPAC1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccc2nc[nH]c2c1)C1(C#N)CCC1
InChIInChI=1S/C14H16N4/c1-16-13(14(8-15)5-2-6-14)10-3-4-11-12(7-10)18-9-17-11/h3-4,7,9,13,16H,2,5-6H2,1H3,(H,17,18)
InChIKeyHCYBRUSSJNGSBN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.52
Rot. Bonds3

About 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile

1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958693) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
PubChem CID116958693
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccc2nc[nH]c2c1)C1(C#N)CCC1
InChIInChI=1S/C14H16N4/c1-16-13(14(8-15)5-2-6-14)10-3-4-11-12(7-10)18-9-17-11/h3-4,7,9,13,16H,2,5-6H2,1H3,(H,17,18)
InChIKeyHCYBRUSSJNGSBN-UHFFFAOYSA-N
XLogP2.52
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[amino(3H-benzimidazol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944526
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
CID 116954226
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958696
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958075
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 116958677
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
CID 116909829
1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958684

Frequently Asked Questions

What is the IUPAC name of 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile (CID 116958693) is 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile is CNC(c1ccc2nc[nH]c2c1)C1(C#N)CCC1.
What is the InChIKey of 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is HCYBRUSSJNGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-16-13(14(8-15)5-2-6-14)10-3-4-11-12(7-10)18-9-17-11/h3-4,7,9,13,16H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).