2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

C15H13N3O — CID 65040362

IUPAC2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(-c2ccco2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H13N3O/c1-10(2)18-13-6-5-11(9-16)8-12(13)17-15(18)14-4-3-7-19-14/h3-8,10H,1-2H3
InChIKeyHIBQHRLRLPVBGZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.75
Rot. Bonds2

About 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040362) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040362
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(-c2ccco2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H13N3O/c1-10(2)18-13-6-5-11(9-16)8-12(13)17-15(18)14-4-3-7-19-14/h3-8,10H,1-2H3
InChIKeyHIBQHRLRLPVBGZ-UHFFFAOYSA-N
XLogP3.75
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 65040362) is 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is CC(C)n1c(-c2ccco2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is HIBQHRLRLPVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10(2)18-13-6-5-11(9-16)8-12(13)17-15(18)14-4-3-7-19-14/h3-8,10H,1-2H3.
What are the key properties of 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).