1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile

C14H12N4 — CID 142193039

IUPAC1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile
SMILESC=C1C(C)=C(C#N)N(C)c2nc3ccccc3n21
InChIInChI=1S/C14H12N4/c1-9-10(2)18-12-7-5-4-6-11(12)16-14(18)17(3)13(9)8-15/h4-7H,2H2,1,3H3
InChIKeySFNDPHPYSMCERB-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.75
Rot. Bonds

About 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile

1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile (PubChem CID 142193039) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile
PubChem CID142193039
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile
SMILESC=C1C(C)=C(C#N)N(C)c2nc3ccccc3n21
InChIInChI=1S/C14H12N4/c1-9-10(2)18-12-7-5-4-6-11(12)16-14(18)17(3)13(9)8-15/h4-7H,2H2,1,3H3
InChIKeySFNDPHPYSMCERB-UHFFFAOYSA-N
XLogP2.75
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile (CID 142193039) is 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile is C=C1C(C)=C(C#N)N(C)c2nc3ccccc3n21.
What is the InChIKey of 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile?
The InChIKey is SFNDPHPYSMCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-10(2)18-12-7-5-4-6-11(12)16-14(18)17(3)13(9)8-15/h4-7H,2H2,1,3H3.
What are the key properties of 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile?
1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile is sourced from PubChem (CID 142193039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).