2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile

C18H23N3 — CID 65040645

IUPAC2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(C2CCCCCC2)nc2cc(C#N)ccc21
InChIInChI=1S/C18H23N3/c1-13(2)21-17-10-9-14(12-19)11-16(17)20-18(21)15-7-5-3-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3
InChIKeyGWUKKONAZUUOGC-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.93
Rot. Bonds2

About 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile

2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040645) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040645
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCC(C)n1c(C2CCCCCC2)nc2cc(C#N)ccc21
InChIInChI=1S/C18H23N3/c1-13(2)21-17-10-9-14(12-19)11-16(17)20-18(21)15-7-5-3-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3
InChIKeyGWUKKONAZUUOGC-UHFFFAOYSA-N
XLogP4.93
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 65040645) is 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile is CC(C)n1c(C2CCCCCC2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is GWUKKONAZUUOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13(2)21-17-10-9-14(12-19)11-16(17)20-18(21)15-7-5-3-4-6-8-15/h9-11,13,15H,3-8H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).