1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile

C16H20N4 — CID 116958696

IUPAC1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C1(C#N)CCC1
InChIInChI=1S/C16H20N4/c1-11-19-13-9-12(5-6-14(13)20(11)3)15(18-2)16(10-17)7-4-8-16/h5-6,9,15,18H,4,7-8H2,1-3H3
InChIKeyBITROLMUOCRATA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.84
Rot. Bonds3

About 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile

1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958696) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
PubChem CID116958696
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccc2c(c1)nc(C)n2C)C1(C#N)CCC1
InChIInChI=1S/C16H20N4/c1-11-19-13-9-12(5-6-14(13)20(11)3)15(18-2)16(10-17)7-4-8-16/h5-6,9,15,18H,4,7-8H2,1-3H3
InChIKeyBITROLMUOCRATA-UHFFFAOYSA-N
XLogP2.84
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 445756
CID 321677
CID 321677
Stk857277
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7-(2,2-Dimethylpropyl)-6-methyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
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(1-Methyl-1H-benzoimidazol-2-yl)-(4-methyl-benzyl)-amine
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7,8-Dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 2870375
1-[(1-Methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 4798604
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6-Methyl-1H-benzimidazole-2-acetonitrile
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3-Methyl-1-(propylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
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CID 2836226

Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile (CID 116958696) is 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile is CNC(c1ccc2c(c1)nc(C)n2C)C1(C#N)CCC1.
What is the InChIKey of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is BITROLMUOCRATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-19-13-9-12(5-6-14(13)20(11)3)15(18-2)16(10-17)7-4-8-16/h5-6,9,15,18H,4,7-8H2,1-3H3.
What are the key properties of 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).