5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one

C15H21N3O — CID 117402567

IUPAC5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C3(N)CCCCC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-12-7-6-11(10-13(12)18(2)14(17)19)15(16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyOGXAOQXYMQIPPA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.00
Rot. Bonds1

About 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one

5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 117402567) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID117402567
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C3(N)CCCCC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-12-7-6-11(10-13(12)18(2)14(17)19)15(16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyOGXAOQXYMQIPPA-UHFFFAOYSA-N
XLogP2.00
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one (CID 117402567) is 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C3(N)CCCCC3)ccc21.
What is the InChIKey of 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OGXAOQXYMQIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-12-7-6-11(10-13(12)18(2)14(17)19)15(16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,16H2,1-2H3.
What are the key properties of 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one?
5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 117402567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).