2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

C19H18N4O2 — CID 3150859

IUPAC2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESCc1ccc2nc(C(C#N)=Cc3ccc(N4CCOCC4)o3)[nH]c2c1
InChIInChI=1S/C19H18N4O2/c1-13-2-4-16-17(10-13)22-19(21-16)14(12-20)11-15-3-5-18(25-15)23-6-8-24-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyAKPVXTOQBCLSOY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.37
Rot. Bonds3

About 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 3150859) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
PubChem CID3150859
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESCc1ccc2nc(C(C#N)=Cc3ccc(N4CCOCC4)o3)[nH]c2c1
InChIInChI=1S/C19H18N4O2/c1-13-2-4-16-17(10-13)22-19(21-16)14(12-20)11-15-3-5-18(25-15)23-6-8-24-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyAKPVXTOQBCLSOY-UHFFFAOYSA-N
XLogP3.37
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(1H-benzimidazol-2-yl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
CID 6002782
(Z)-3-[5-(4-iodophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 50886485
(Z)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 50886032
2-chloro-5-[5-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid
CID 3385132
2-(6-methyl-1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile
CID 3148331
4-[5-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]-2-hydroxybenzoic acid
CID 3804584
4-chloro-3-[5-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoic acid
CID 3968759
2-(6-methyl-1H-benzimidazol-2-yl)-3-(6-methyl-1,3-benzodioxol-5-yl)prop-2-enenitrile
CID 3949677
3-(4-bromophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 2850614
(Z)-3-[4-(dimethylamino)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile;hydrochloride
CID 163327257
(Z)-3-[5-(9,10-dioxoanthracen-2-yl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 50884479
(Z)-2-(6-methyl-1H-benzimidazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile
CID 124549615

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (CID 3150859) is 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is Cc1ccc2nc(C(C#N)=Cc3ccc(N4CCOCC4)o3)[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is AKPVXTOQBCLSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-2-4-16-17(10-13)22-19(21-16)14(12-20)11-15-3-5-18(25-15)23-6-8-24-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 334.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 3150859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).