(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile

C19H15N5O — CID 97254457

IUPAC(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile
SMILESCn1cnc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)ccc21
InChIInChI=1S/C19H15N5O/c1-23-11-21-15-9-12(7-8-16(15)23)18(25)13(10-20)19-22-14-5-3-4-6-17(14)24(19)2/h3-9,11,13H,1-2H3/t13-/m0/s1
InChIKeyHIQWLWHQCUISCY-ZDUSSCGKSA-N
MW329.36 g/mol
LogP2.95
Rot. Bonds3

About (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile

(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile (PubChem CID 97254457) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile
PubChem CID97254457
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile
SMILESCn1cnc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)ccc21
InChIInChI=1S/C19H15N5O/c1-23-11-21-15-9-12(7-8-16(15)23)18(25)13(10-20)19-22-14-5-3-4-6-17(14)24(19)2/h3-9,11,13H,1-2H3/t13-/m0/s1
InChIKeyHIQWLWHQCUISCY-ZDUSSCGKSA-N
XLogP2.95
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(2,1,3-benzothiadiazol-5-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 129358178
(2S)-3-(4-tert-butylphenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 25390317
2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 78869260
3-[2-cyano-2-(1-methylbenzimidazol-2-yl)acetyl]-N-methylbenzamide
CID 71869463
2-(1-methylbenzimidazol-2-yl)-3-(3-methylfuran-2-yl)-3-oxopropanenitrile
CID 78869257
(E)-4-methyl-2-(1-methylbenzimidazol-2-yl)-3-oxohex-4-enenitrile
CID 132969255
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 78895479
2-(1-methylbenzimidazol-2-yl)-3-oxo-3-(4-oxo-3H-phthalazin-1-yl)propanenitrile
CID 4791990
(2S)-3-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
CID 25333684
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(1-methylbenzimidazol-2-yl)-3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-3-oxopropanenitrile
CID 86977589
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile?
The IUPAC name of (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile (CID 97254457) is (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile.
What is the SMILES notation for (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile?
The canonical SMILES for (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile is Cn1cnc2cc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)ccc21.
What is the InChIKey of (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile?
The InChIKey is HIQWLWHQCUISCY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H15N5O/c1-23-11-21-15-9-12(7-8-16(15)23)18(25)13(10-20)19-22-14-5-3-4-6-17(14)24(19)2/h3-9,11,13H,1-2H3/t13-/m0/s1.
What are the key properties of (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile?
(2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile has a molecular weight of 329.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylbenzimidazol-2-yl)-3-(1-methylbenzimidazol-5-yl)-3-oxopropanenitrile is sourced from PubChem (CID 97254457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).