2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine

C22H27N7 — CID 166629717

IUPAC2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine
SMILESCCN(CC)c1ccc(-c2nc3cccc(NC)c3n2Cc2ccn(C)n2)cn1
InChIInChI=1S/C22H27N7/c1-5-28(6-2)20-11-10-16(14-24-20)22-25-19-9-7-8-18(23-3)21(19)29(22)15-17-12-13-27(4)26-17/h7-14,23H,5-6,15H2,1-4H3
InChIKeyJFZWHACTGUNUBN-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.77
Rot. Bonds7

About 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine

2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine (PubChem CID 166629717) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine
PubChem CID166629717
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine
SMILESCCN(CC)c1ccc(-c2nc3cccc(NC)c3n2Cc2ccn(C)n2)cn1
InChIInChI=1S/C22H27N7/c1-5-28(6-2)20-11-10-16(14-24-20)22-25-19-9-7-8-18(23-3)21(19)29(22)15-17-12-13-27(4)26-17/h7-14,23H,5-6,15H2,1-4H3
InChIKeyJFZWHACTGUNUBN-UHFFFAOYSA-N
XLogP3.77
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-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-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine?
The IUPAC name of 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine (CID 166629717) is 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine.
What is the SMILES notation for 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine?
The canonical SMILES for 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine is CCN(CC)c1ccc(-c2nc3cccc(NC)c3n2Cc2ccn(C)n2)cn1.
What is the InChIKey of 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine?
The InChIKey is JFZWHACTGUNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-5-28(6-2)20-11-10-16(14-24-20)22-25-19-9-7-8-18(23-3)21(19)29(22)15-17-12-13-27(4)26-17/h7-14,23H,5-6,15H2,1-4H3.
What are the key properties of 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine?
2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine has a molecular weight of 389.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylamino)-3-pyridinyl]-N-methyl-3-[(1-methylpyrazol-3-yl)methyl]benzimidazol-4-amine is sourced from PubChem (CID 166629717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).