2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C18H28N4 — CID 131906579

IUPAC2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1ccc2nc(CNCC(C)(C)CN3CCCC3)[nH]c2c1
InChIInChI=1S/C18H28N4/c1-14-6-7-15-16(10-14)21-17(20-15)11-19-12-18(2,3)13-22-8-4-5-9-22/h6-7,10,19H,4-5,8-9,11-13H2,1-3H3,(H,20,21)
InChIKeyXSOALBATYOBIEM-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.08
Rot. Bonds6

About 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 131906579) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID131906579
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1ccc2nc(CNCC(C)(C)CN3CCCC3)[nH]c2c1
InChIInChI=1S/C18H28N4/c1-14-6-7-15-16(10-14)21-17(20-15)11-19-12-18(2,3)13-22-8-4-5-9-22/h6-7,10,19H,4-5,8-9,11-13H2,1-3H3,(H,20,21)
InChIKeyXSOALBATYOBIEM-UHFFFAOYSA-N
XLogP3.08
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-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 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 131906579) is 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is Cc1ccc2nc(CNCC(C)(C)CN3CCCC3)[nH]c2c1.
What is the InChIKey of 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is XSOALBATYOBIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-14-6-7-15-16(10-14)21-17(20-15)11-19-12-18(2,3)13-22-8-4-5-9-22/h6-7,10,19H,4-5,8-9,11-13H2,1-3H3,(H,20,21).
What are the key properties of 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 300.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 131906579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).