2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile

C18H23N3 — CID 65040307

IUPAC2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(C2CCCCCC2)nc2cc(C#N)ccc21
InChIInChI=1S/C18H23N3/c1-2-11-21-17-10-9-14(13-19)12-16(17)20-18(21)15-7-5-3-4-6-8-15/h9-10,12,15H,2-8,11H2,1H3
InChIKeyGWIUMLSKIVEYKM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.76
Rot. Bonds3

About 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile

2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile (PubChem CID 65040307) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
PubChem CID65040307
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile
SMILESCCCn1c(C2CCCCCC2)nc2cc(C#N)ccc21
InChIInChI=1S/C18H23N3/c1-2-11-21-17-10-9-14(13-19)12-16(17)20-18(21)15-7-5-3-4-6-8-15/h9-10,12,15H,2-8,11H2,1H3
InChIKeyGWIUMLSKIVEYKM-UHFFFAOYSA-N
XLogP4.76
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile (CID 65040307) is 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile is CCCn1c(C2CCCCCC2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile?
The InChIKey is GWIUMLSKIVEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-11-21-17-10-9-14(13-19)12-16(17)20-18(21)15-7-5-3-4-6-8-15/h9-10,12,15H,2-8,11H2,1H3.
What are the key properties of 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile?
2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile has a molecular weight of 281.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-propylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).