2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile

C21H20N4O2 — CID 71812266

IUPAC2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C21H20N4O2/c1-12-9-17(26-3)18(14-7-8-23-19(12)14)21(2,27-4)20-24-15-6-5-13(11-22)10-16(15)25-20/h5-10,23H,1-4H3,(H,24,25)
InChIKeyQCBKRGBKYBRIBW-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.14
Rot. Bonds4

About 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile

2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile (PubChem CID 71812266) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
PubChem CID71812266
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C21H20N4O2/c1-12-9-17(26-3)18(14-7-8-23-19(12)14)21(2,27-4)20-24-15-6-5-13(11-22)10-16(15)25-20/h5-10,23H,1-4H3,(H,24,25)
InChIKeyQCBKRGBKYBRIBW-UHFFFAOYSA-N
XLogP4.14
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5,7-dimethyl-1H-indol-4-yl)-1-methoxyethyl]-3H-benzimidazole-5-carbonitrile
CID 86701604
2-[1-[amino(dihydroxy)methoxy]-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 123440574
2-[1-(2,2-dihydroxyethylamino)-2,2,2-trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 123549971
2-[1-(5-ethyl-7-methyl-1H-indol-4-yl)-1-methoxyethyl]-1H-benzimidazole
CID 141393353
2-(5-cyano-1H-indol-2-yl)-2-(5-methoxy-7-methyl-1H-indol-4-yl)propanoic acid
CID 141393358
2-[2,2,2-trifluoro-1-methoxy-1-(2-methoxy-4,6-dimethylphenyl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 118049871
2-[1-(6-cyano-1H-benzimidazol-2-yl)-1-(5-ethyl-7-methyl-1H-indol-4-yl)-2,2,2-trifluoroethoxy]acetic acid
CID 86701662
carbonic acid;2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)cyclopropyl]-3H-benzimidazole-5-carbonitrile
CID 126713644
2-[2,2,2-trifluoro-1-hydroxy-1-[5-[(R)-hydroxy(methylamino)methyl]-7-methyl-1H-indol-4-yl]ethyl]-3H-benzimidazole-5-carbonitrile
CID 90057030
2-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoro-1-(methylamino)ethyl]-3H-benzimidazole-5-carbonitrile
CID 118059164
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
CID 141393467
2-[1-amino-2,2,2-trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-1,3-dihydroisoindole-5-carbonitrile
CID 90010402

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile (CID 71812266) is 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile is COc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is QCBKRGBKYBRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-9-17(26-3)18(14-7-8-23-19(12)14)21(2,27-4)20-24-15-6-5-13(11-22)10-16(15)25-20/h5-10,23H,1-4H3,(H,24,25).
What are the key properties of 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile?
2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 360.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 71812266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).