3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide

C14H20N4O — CID 115154935

IUPAC3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
SMILESCN(C(=O)CC(C)(C)N)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O/c1-14(2,15)8-13(19)18(4)10-5-6-12-11(7-10)16-9-17(12)3/h5-7,9H,8,15H2,1-4H3
InChIKeyNIJDNVAJRPCWHS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds3

About 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide

3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide (PubChem CID 115154935) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
PubChem CID115154935
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide
SMILESCN(C(=O)CC(C)(C)N)c1ccc2c(c1)ncn2C
InChIInChI=1S/C14H20N4O/c1-14(2,15)8-13(19)18(4)10-5-6-12-11(7-10)16-9-17(12)3/h5-7,9H,8,15H2,1-4H3
InChIKeyNIJDNVAJRPCWHS-UHFFFAOYSA-N
XLogP1.66
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide 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 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide (CID 115154935) is 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide is CN(C(=O)CC(C)(C)N)c1ccc2c(c1)ncn2C.
What is the InChIKey of 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide?
The InChIKey is NIJDNVAJRPCWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,15)8-13(19)18(4)10-5-6-12-11(7-10)16-9-17(12)3/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide?
3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide has a molecular weight of 260.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-(1-methylbenzimidazol-5-yl)butanamide is sourced from PubChem (CID 115154935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).