2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

C16H21N3O — CID 65040523

IUPAC2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
SMILESCC(C)Cn1c(C(C)(C)CO)nc2cc(C#N)ccc21
InChIInChI=1S/C16H21N3O/c1-11(2)9-19-14-6-5-12(8-17)7-13(14)18-15(19)16(3,4)10-20/h5-7,11,20H,9-10H2,1-4H3
InChIKeyMJOORPTWKFUMSC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds4

About 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile

2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile (PubChem CID 65040523) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
PubChem CID65040523
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
SMILESCC(C)Cn1c(C(C)(C)CO)nc2cc(C#N)ccc21
InChIInChI=1S/C16H21N3O/c1-11(2)9-19-14-6-5-12(8-17)7-13(14)18-15(19)16(3,4)10-20/h5-7,11,20H,9-10H2,1-4H3
InChIKeyMJOORPTWKFUMSC-UHFFFAOYSA-N
XLogP2.83
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(2-methylpropyl)benzimidazole-5-carbonitrile
CID 65040568
2-(hydroxymethyl)-1-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 68764810
1-(2-methylpropyl)-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941814
2-(2,2-dimethylcyclopropyl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 107003451
1-ethyl-2-(2,3,3-trimethylbutyl)benzimidazole-5-carbonitrile
CID 65040344
1-(2-methylpropyl)-2-(thiophen-3-ylmethyl)benzimidazole-5-carbonitrile
CID 65040709
1-(2-methylpropyl)-2-(thiolan-3-yl)benzimidazole-5-carbonitrile
CID 65040284
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
1-(2-methylpropyl)-2-(4-methyl-1,3-thiazol-5-yl)benzimidazole-5-carbonitrile
CID 65040190
2-(2-bromofuran-3-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile
CID 106856277
2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile (CID 65040523) is 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile is CC(C)Cn1c(C(C)(C)CO)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
The InChIKey is MJOORPTWKFUMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)9-19-14-6-5-12(8-17)7-13(14)18-15(19)16(3,4)10-20/h5-7,11,20H,9-10H2,1-4H3.
What are the key properties of 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile?
2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-methylpropan-2-yl)-1-(2-methylpropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).