7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile

C16H11N5O — CID 22162187

IUPAC7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21
InChIInChI=1S/C16H11N5O/c1-16(8-17)10-5-12-13(6-11(10)21-15(16)22)20-14(19-12)9-3-2-4-18-7-9/h2-7H,1H3,(H,19,20)(H,21,22)
InChIKeyQDLQPDFTNQHWIB-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.36
Rot. Bonds1

About 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile

7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile (PubChem CID 22162187) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile.

Molecular Properties

Compound Name7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
PubChem CID22162187
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21
InChIInChI=1S/C16H11N5O/c1-16(8-17)10-5-12-13(6-11(10)21-15(16)22)20-14(19-12)9-3-2-4-18-7-9/h2-7H,1H3,(H,19,20)(H,21,22)
InChIKeyQDLQPDFTNQHWIB-UHFFFAOYSA-N
XLogP2.36
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173
7-propan-2-ylidene-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 22162263
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
5-butyl-7,7-dimethyl-2-pyridin-3-yl-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421400
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
7,7-dimethyl-2-pyridin-4-yl-5,8-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 14209944
7,7-dimethyl-2-pyridin-3-yl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992398
7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
CID 19852040
2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896841
4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
CID 19896803
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
4-hydroxy-6-methyl-3-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)iminomethyl]pyran-2-one
CID 135638352

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The IUPAC name of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile (CID 22162187) is 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile.
What is the SMILES notation for 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The canonical SMILES for 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile is CC1(C#N)C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21.
What is the InChIKey of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The InChIKey is QDLQPDFTNQHWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c1-16(8-17)10-5-12-13(6-11(10)21-15(16)22)20-14(19-12)9-3-2-4-18-7-9/h2-7H,1H3,(H,19,20)(H,21,22).
What are the key properties of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile is sourced from PubChem (CID 22162187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).