3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile

C16H19N3O2 — CID 82145467

IUPAC3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile
SMILESCOc1cc2nc(C3CC3)n(CC(C)C#N)c2cc1OC
InChIInChI=1S/C16H19N3O2/c1-10(8-17)9-19-13-7-15(21-3)14(20-2)6-12(13)18-16(19)11-4-5-11/h6-7,10-11H,4-5,9H2,1-3H3
InChIKeyFAVJDMPILABMQB-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.09
Rot. Bonds5

About 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile

3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile (PubChem CID 82145467) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile
PubChem CID82145467
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile
SMILESCOc1cc2nc(C3CC3)n(CC(C)C#N)c2cc1OC
InChIInChI=1S/C16H19N3O2/c1-10(8-17)9-19-13-7-15(21-3)14(20-2)6-12(13)18-16(19)11-4-5-11/h6-7,10-11H,4-5,9H2,1-3H3
InChIKeyFAVJDMPILABMQB-UHFFFAOYSA-N
XLogP3.09
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-cyclopropyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-2-methylpropanenitrile
CID 82145632
3-(2-cyclohexyl-5,6-dimethoxybenzimidazol-1-yl)propan-1-ol
CID 94756206
4-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)butanenitrile
CID 82150457
2-[2-(1-aminoethyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 82024969
3-(5,6-dimethoxy-2-methylbenzimidazol-1-yl)propanenitrile
CID 82145410
3-(5,6-dichloro-2-methylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145962
2-methyl-3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanenitrile
CID 82145842
3-(5,6-dichloro-2-ethylbenzimidazol-1-yl)-2-methylpropanenitrile
CID 82145975
1-(1-ethyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 74554180
1-(2-methylpropyl)-2-(thiolan-3-yl)benzimidazole-5-carbonitrile
CID 65040284
1-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)butan-2-amine
CID 82146331
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile (CID 82145467) is 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile is COc1cc2nc(C3CC3)n(CC(C)C#N)c2cc1OC.
What is the InChIKey of 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile?
The InChIKey is FAVJDMPILABMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(8-17)9-19-13-7-15(21-3)14(20-2)6-12(13)18-16(19)11-4-5-11/h6-7,10-11H,4-5,9H2,1-3H3.
What are the key properties of 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile?
3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile has a molecular weight of 285.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-5,6-dimethoxybenzimidazol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 82145467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).