(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile

C14H9N3O2 — CID 6928339

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
SMILESN#C[C@@H](C(=O)c1ccco1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9N3O2/c15-8-9(13(18)12-6-3-7-19-12)14-16-10-4-1-2-5-11(10)17-14/h1-7,9H,(H,16,17)/t9-/m0/s1
InChIKeyDREOBWVEOKBSMQ-VIFPVBQESA-N
MW251.25 g/mol
LogP2.65
Rot. Bonds3

About (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile

(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile (PubChem CID 6928339) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
PubChem CID6928339
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
SMILESN#C[C@@H](C(=O)c1ccco1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H9N3O2/c15-8-9(13(18)12-6-3-7-19-12)14-16-10-4-1-2-5-11(10)17-14/h1-7,9H,(H,16,17)/t9-/m0/s1
InChIKeyDREOBWVEOKBSMQ-VIFPVBQESA-N
XLogP2.65
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-benzimidazol-2-yl)-3-(7-bromo-5-methyl-1-benzofuran-2-yl)-3-oxopropanenitrile
CID 97353052
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
CID 71896665
2-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxopropanenitrile
CID 23963467
2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 2729248
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile
CID 129380747
(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yl-3-oxobutanenitrile
CID 2376701
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
2-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile
CID 86977594

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile (CID 6928339) is (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile is N#C[C@@H](C(=O)c1ccco1)c1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile?
The InChIKey is DREOBWVEOKBSMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H9N3O2/c15-8-9(13(18)12-6-3-7-19-12)14-16-10-4-1-2-5-11(10)17-14/h1-7,9H,(H,16,17)/t9-/m0/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile?
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile has a molecular weight of 251.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile is sourced from PubChem (CID 6928339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).