5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine

C16H23N3 — CID 79860095

IUPAC5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine
SMILESCc1cc2ncn(C3CCC(C)(C)C3N)c2cc1C
InChIInChI=1S/C16H23N3/c1-10-7-12-14(8-11(10)2)19(9-18-12)13-5-6-16(3,4)15(13)17/h7-9,13,15H,5-6,17H2,1-4H3
InChIKeyUFBUHKVMFIIREI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds1

About 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine

5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 79860095) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine
PubChem CID79860095
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine
SMILESCc1cc2ncn(C3CCC(C)(C)C3N)c2cc1C
InChIInChI=1S/C16H23N3/c1-10-7-12-14(8-11(10)2)19(9-18-12)13-5-6-16(3,4)15(13)17/h7-9,13,15H,5-6,17H2,1-4H3
InChIKeyUFBUHKVMFIIREI-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine (CID 79860095) is 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine is Cc1cc2ncn(C3CCC(C)(C)C3N)c2cc1C.
What is the InChIKey of 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is UFBUHKVMFIIREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-7-12-14(8-11(10)2)19(9-18-12)13-5-6-16(3,4)15(13)17/h7-9,13,15H,5-6,17H2,1-4H3.
What are the key properties of 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine?
5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79860095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).