N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine

C16H25N3 — CID 55073175

IUPACN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1cc2ncn(C(C)CNC(C)(C)C)c2cc1C
InChIInChI=1S/C16H25N3/c1-11-7-14-15(8-12(11)2)19(10-17-14)13(3)9-18-16(4,5)6/h7-8,10,13,18H,9H2,1-6H3
InChIKeySNFCCJGVUXHEPU-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.60
Rot. Bonds3

About N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine

N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine (PubChem CID 55073175) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
PubChem CID55073175
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
SMILESCc1cc2ncn(C(C)CNC(C)(C)C)c2cc1C
InChIInChI=1S/C16H25N3/c1-11-7-14-15(8-12(11)2)19(10-17-14)13(3)9-18-16(4,5)6/h7-8,10,13,18H,9H2,1-6H3
InChIKeySNFCCJGVUXHEPU-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine 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 N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine (CID 55073175) is N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine is Cc1cc2ncn(C(C)CNC(C)(C)C)c2cc1C.
What is the InChIKey of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is SNFCCJGVUXHEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-7-14-15(8-12(11)2)19(10-17-14)13(3)9-18-16(4,5)6/h7-8,10,13,18H,9H2,1-6H3.
What are the key properties of N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine?
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55073175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).