1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide

C11H10N4O — CID 115172225

IUPAC1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
SMILESCn1cnc2cc(CNC(=O)C#N)ccc21
InChIInChI=1S/C11H10N4O/c1-15-7-14-9-4-8(2-3-10(9)15)6-13-11(16)5-12/h2-4,7H,6H2,1H3,(H,13,16)
InChIKeyHUINLVTVDGOCMH-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.71
Rot. Bonds2

About 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide

1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide (PubChem CID 115172225) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
PubChem CID115172225
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
SMILESCn1cnc2cc(CNC(=O)C#N)ccc21
InChIInChI=1S/C11H10N4O/c1-15-7-14-9-4-8(2-3-10(9)15)6-13-11(16)5-12/h2-4,7H,6H2,1H3,(H,13,16)
InChIKeyHUINLVTVDGOCMH-UHFFFAOYSA-N
XLogP0.71
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
CID 139018215
1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 166313203
1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 167748960
4-[(1-methylbenzimidazol-5-yl)methylamino]butan-1-ol
CID 115217622

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide?
The IUPAC name of 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide (CID 115172225) is 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide.
What is the SMILES notation for 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide?
The canonical SMILES for 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide is Cn1cnc2cc(CNC(=O)C#N)ccc21.
What is the InChIKey of 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide?
The InChIKey is HUINLVTVDGOCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-15-7-14-9-4-8(2-3-10(9)15)6-13-11(16)5-12/h2-4,7H,6H2,1H3,(H,13,16).
What are the key properties of 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide?
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide has a molecular weight of 214.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide is sourced from PubChem (CID 115172225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).