1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile

C16H22N4 — CID 65040704

IUPAC1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile
SMILESCN(C)CCc1nc2cc(C#N)ccc2n1C(C)(C)C
InChIInChI=1S/C16H22N4/c1-16(2,3)20-14-7-6-12(11-17)10-13(14)18-15(20)8-9-19(4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyPYZOWBROBNMRQS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.77
Rot. Bonds3

About 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile

1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile (PubChem CID 65040704) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile
PubChem CID65040704
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile
SMILESCN(C)CCc1nc2cc(C#N)ccc2n1C(C)(C)C
InChIInChI=1S/C16H22N4/c1-16(2,3)20-14-7-6-12(11-17)10-13(14)18-15(20)8-9-19(4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyPYZOWBROBNMRQS-UHFFFAOYSA-N
XLogP2.77
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile (CID 65040704) is 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile is CN(C)CCc1nc2cc(C#N)ccc2n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile?
The InChIKey is PYZOWBROBNMRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2,3)20-14-7-6-12(11-17)10-13(14)18-15(20)8-9-19(4)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile?
1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(dimethylamino)ethyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 65040704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).