2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile

C17H21N3 — CID 65040296

IUPAC2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
SMILESCCn1c(C2CCCCCC2)nc2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-2-20-16-10-9-13(12-18)11-15(16)19-17(20)14-7-5-3-4-6-8-14/h9-11,14H,2-8H2,1H3
InChIKeyDLTALXAGTIPDMU-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.37
Rot. Bonds2

About 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile

2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile (PubChem CID 65040296) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
PubChem CID65040296
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
SMILESCCn1c(C2CCCCCC2)nc2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-2-20-16-10-9-13(12-18)11-15(16)19-17(20)14-7-5-3-4-6-8-14/h9-11,14H,2-8H2,1H3
InChIKeyDLTALXAGTIPDMU-UHFFFAOYSA-N
XLogP4.37
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile (CID 65040296) is 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile is CCn1c(C2CCCCCC2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile?
The InChIKey is DLTALXAGTIPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-20-16-10-9-13(12-18)11-15(16)19-17(20)14-7-5-3-4-6-8-14/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile?
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).