5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one

C16H25N3O — CID 82174481

IUPAC5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(C(N)C(C)C)c(C)cc21
InChIInChI=1S/C16H25N3O/c1-6-18-13-8-11(5)12(15(17)10(3)4)9-14(13)19(7-2)16(18)20/h8-10,15H,6-7,17H2,1-5H3
InChIKeyBLAZNURPNKRRLY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.81
Rot. Bonds4

About 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one

5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one (PubChem CID 82174481) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one
PubChem CID82174481
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one
SMILESCCn1c(=O)n(CC)c2cc(C(N)C(C)C)c(C)cc21
InChIInChI=1S/C16H25N3O/c1-6-18-13-8-11(5)12(15(17)10(3)4)9-14(13)19(7-2)16(18)20/h8-10,15H,6-7,17H2,1-5H3
InChIKeyBLAZNURPNKRRLY-UHFFFAOYSA-N
XLogP2.81
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one (CID 82174481) is 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one is CCn1c(=O)n(CC)c2cc(C(N)C(C)C)c(C)cc21.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one?
The InChIKey is BLAZNURPNKRRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-18-13-8-11(5)12(15(17)10(3)4)9-14(13)19(7-2)16(18)20/h8-10,15H,6-7,17H2,1-5H3.
What are the key properties of 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one?
5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-1,3-diethyl-6-methylbenzimidazol-2-one is sourced from PubChem (CID 82174481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).