2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile

C17H13N3O — CID 104712778

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccc3c(c2)CCO3)nc2ccc(C#N)cc21
InChIInChI=1S/C17H13N3O/c1-20-15-8-11(10-18)2-4-14(15)19-17(20)13-3-5-16-12(9-13)6-7-21-16/h2-5,8-9H,6-7H2,1H3
InChIKeyXNWIHPORCYHFEF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.05
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile

2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712778) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712778
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccc3c(c2)CCO3)nc2ccc(C#N)cc21
InChIInChI=1S/C17H13N3O/c1-20-15-8-11(10-18)2-4-14(15)19-17(20)13-3-5-16-12(9-13)6-7-21-16/h2-5,8-9H,6-7H2,1H3
InChIKeyXNWIHPORCYHFEF-UHFFFAOYSA-N
XLogP3.05
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile (CID 104712778) is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(-c2ccc3c(c2)CCO3)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is XNWIHPORCYHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-20-15-8-11(10-18)2-4-14(15)19-17(20)13-3-5-16-12(9-13)6-7-21-16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile?
2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).