5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one

C14H21N3O — CID 82498576

IUPAC5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(C)(C)CCN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,7-8-15)10-5-6-11-12(9-10)17(4)13(18)16(11)3/h5-6,9H,7-8,15H2,1-4H3
InChIKeyDABRPPDKPYLAQQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds3

About 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one

5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 82498576) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one
PubChem CID82498576
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(C)(C)CCN)ccc21
InChIInChI=1S/C14H21N3O/c1-14(2,7-8-15)10-5-6-11-12(9-10)17(4)13(18)16(11)3/h5-6,9H,7-8,15H2,1-4H3
InChIKeyDABRPPDKPYLAQQ-UHFFFAOYSA-N
XLogP1.50
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one (CID 82498576) is 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(C)(C)CCN)ccc21.
What is the InChIKey of 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is DABRPPDKPYLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,7-8-15)10-5-6-11-12(9-10)17(4)13(18)16(11)3/h5-6,9H,7-8,15H2,1-4H3.
What are the key properties of 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one?
5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylbutan-2-yl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 82498576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).