1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile

C16H19N3O — CID 115950372

IUPAC1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
SMILESCC(C)(C)OCc1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C16H19N3O/c1-16(2,3)20-10-15-18-13-8-11(9-17)4-7-14(13)19(15)12-5-6-12/h4,7-8,12H,5-6,10H2,1-3H3
InChIKeyQIIOCNQARQYVLF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.56
Rot. Bonds3

About 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile

1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile (PubChem CID 115950372) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
PubChem CID115950372
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile
SMILESCC(C)(C)OCc1nc2cc(C#N)ccc2n1C1CC1
InChIInChI=1S/C16H19N3O/c1-16(2,3)20-10-15-18-13-8-11(9-17)4-7-14(13)19(15)12-5-6-12/h4,7-8,12H,5-6,10H2,1-3H3
InChIKeyQIIOCNQARQYVLF-UHFFFAOYSA-N
XLogP3.56
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(propoxymethyl)benzimidazole-5-carbonitrile
CID 107941812
1-cyclopropyl-2-hexylbenzimidazole-5-carbonitrile
CID 114754152
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
1-cyclopropyl-2-(1-cyclopropylethyl)benzimidazole-5-carbonitrile
CID 83151476
1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-cyclopropyl-2-(3-methylphenyl)benzimidazole-5-carbonitrile
CID 65040414
1-cyclopropyl-2-(1,1,2,2-tetrafluoroethyl)benzimidazole-5-carbonitrile
CID 79659766
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
CID 104715274
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
2-(methoxymethyl)-1-piperidin-4-yl-5-(trifluoromethyl)benzimidazole
CID 118759082
1-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)benzimidazole-5-carbonitrile
CID 65040130

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile (CID 115950372) is 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile is CC(C)(C)OCc1nc2cc(C#N)ccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile?
The InChIKey is QIIOCNQARQYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)20-10-15-18-13-8-11(9-17)4-7-14(13)19(15)12-5-6-12/h4,7-8,12H,5-6,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile?
1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 115950372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).