4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile

C20H16N4O — CID 71568447

IUPAC4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H16N4O/c1-25-19-7-4-16-10-18(13-23-9-8-22-14-23)24(20(16)11-19)17-5-2-15(12-21)3-6-17/h2-11,14H,13H2,1H3
InChIKeySLLLBZSXWRZRFB-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.76
Rot. Bonds4

About 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile

4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile (PubChem CID 71568447) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile
PubChem CID71568447
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C20H16N4O/c1-25-19-7-4-16-10-18(13-23-9-8-22-14-23)24(20(16)11-19)17-5-2-15(12-21)3-6-17/h2-11,14H,13H2,1H3
InChIKeySLLLBZSXWRZRFB-UHFFFAOYSA-N
XLogP3.76
TPSA55.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-6-methyl-1-phenyl-1H-1,3-benzodiazole
CID 5328528
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
2-(4-Pyrrolidinopropoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 9945660
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-methoxy-benzamidine
CID 10094509
1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204268
3-(((1S,3S)-3-(7-methoxy-4-methylquinolin-2-ylamino)cyclopentylamino)methyl)-1-methyl-1H-indole-5-carbonitrile
CID 44442156
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-4-methoxy-1H-indole-5-carbonitrile
CID 90174377
1,7-Bis(4-propan-2-yloxyphenyl)imidazo[1,5-a]pyridine
CID 134179641
7-methoxy-1-(2-phenylpyrrolidin-1-yl)-9H-pyrido[3,4-b]indole
CID 145950977

Frequently Asked Questions

What is the IUPAC name of 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile?
The IUPAC name of 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile (CID 71568447) is 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile?
The canonical SMILES for 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile is COc1ccc2cc(Cn3ccnc3)n(-c3ccc(C#N)cc3)c2c1.
What is the InChIKey of 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile?
The InChIKey is SLLLBZSXWRZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-25-19-7-4-16-10-18(13-23-9-8-22-14-23)24(20(16)11-19)17-5-2-15(12-21)3-6-17/h2-11,14H,13H2,1H3.
What are the key properties of 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile?
4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile has a molecular weight of 328.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile is sourced from PubChem (CID 71568447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).