1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile

C16H13N3O — CID 114823633

IUPAC1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
SMILESCc1cc(-c2nc3cc(C#N)ccc3n2C2CC2)co1
InChIInChI=1S/C16H13N3O/c1-10-6-12(9-20-10)16-18-14-7-11(8-17)2-5-15(14)19(16)13-3-4-13/h2,5-7,9,13H,3-4H2,1H3
InChIKeyPSIVNNJFQVGBTP-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.81
Rot. Bonds2

About 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile

1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile (PubChem CID 114823633) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
PubChem CID114823633
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
SMILESCc1cc(-c2nc3cc(C#N)ccc3n2C2CC2)co1
InChIInChI=1S/C16H13N3O/c1-10-6-12(9-20-10)16-18-14-7-11(8-17)2-5-15(14)19(16)13-3-4-13/h2,5-7,9,13H,3-4H2,1H3
InChIKeyPSIVNNJFQVGBTP-UHFFFAOYSA-N
XLogP3.81
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65040414
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
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1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
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1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
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1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
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1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
1-cyclopropyl-2-(oxolan-3-yl)benzimidazole-5-carbonitrile
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1-cyclopropyl-2-(2-methyloxolan-3-yl)benzimidazole-5-carbonitrile
CID 79756124
1-cyclopropyl-2-methylindole-6-carbonitrile
CID 115020693
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
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1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile (CID 114823633) is 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile is Cc1cc(-c2nc3cc(C#N)ccc3n2C2CC2)co1.
What is the InChIKey of 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is PSIVNNJFQVGBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-10-6-12(9-20-10)16-18-14-7-11(8-17)2-5-15(14)19(16)13-3-4-13/h2,5-7,9,13H,3-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile?
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 114823633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).