4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile

C20H26N4O — CID 166297779

IUPAC4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCOCCN(Cc1ccc(C#N)cc1)Cc1nc2c(n1C)CCCC2
InChIInChI=1S/C20H26N4O/c1-23-19-6-4-3-5-18(19)22-20(23)15-24(11-12-25-2)14-17-9-7-16(13-21)8-10-17/h7-10H,3-6,11-12,14-15H2,1-2H3
InChIKeyOQUUPWHVZFXHQW-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.82
Rot. Bonds7

About 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile

4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile (PubChem CID 166297779) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile
PubChem CID166297779
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCOCCN(Cc1ccc(C#N)cc1)Cc1nc2c(n1C)CCCC2
InChIInChI=1S/C20H26N4O/c1-23-19-6-4-3-5-18(19)22-20(23)15-24(11-12-25-2)14-17-9-7-16(13-21)8-10-17/h7-10H,3-6,11-12,14-15H2,1-2H3
InChIKeyOQUUPWHVZFXHQW-UHFFFAOYSA-N
XLogP2.82
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile with MolForge

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Related Compounds

3-[[(4-cyanophenyl)methyl-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122028958
4-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]benzonitrile
CID 112841986
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
4-[bis(2-methoxyethyl)amino]benzonitrile
CID 60754027
4-[[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]methyl]benzonitrile
CID 75393110
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 146089786
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
3-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 71986659
4-[[bis(2-methoxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63884216
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78899266

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile (CID 166297779) is 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile is COCCN(Cc1ccc(C#N)cc1)Cc1nc2c(n1C)CCCC2.
What is the InChIKey of 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is OQUUPWHVZFXHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-19-6-4-3-5-18(19)22-20(23)15-24(11-12-25-2)14-17-9-7-16(13-21)8-10-17/h7-10H,3-6,11-12,14-15H2,1-2H3.
What are the key properties of 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile?
4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 338.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 166297779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).