4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile

C13H12N4O2 — CID 78946024

IUPAC4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc3nc[nH]c3c2)CCO1
InChIInChI=1S/C13H12N4O2/c14-6-10-7-17(3-4-19-10)13(18)9-1-2-11-12(5-9)16-8-15-11/h1-2,5,8,10H,3-4,7H2,(H,15,16)
InChIKeyLAHMKQJCIFMERR-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.93
Rot. Bonds1

About 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile

4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile (PubChem CID 78946024) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile
PubChem CID78946024
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc3nc[nH]c3c2)CCO1
InChIInChI=1S/C13H12N4O2/c14-6-10-7-17(3-4-19-10)13(18)9-1-2-11-12(5-9)16-8-15-11/h1-2,5,8,10H,3-4,7H2,(H,15,16)
InChIKeyLAHMKQJCIFMERR-UHFFFAOYSA-N
XLogP0.93
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
CID 78945959
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000545
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
4-(3-methylsulfonylbenzoyl)morpholine-2-carbonitrile
CID 78945893
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile (CID 78946024) is 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2ccc3nc[nH]c3c2)CCO1.
What is the InChIKey of 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile?
The InChIKey is LAHMKQJCIFMERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-6-10-7-17(3-4-19-10)13(18)9-1-2-11-12(5-9)16-8-15-11/h1-2,5,8,10H,3-4,7H2,(H,15,16).
What are the key properties of 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile?
4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile has a molecular weight of 256.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazole-5-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78946024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).