2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride

C18H23Cl2N5O — CID 119850830

IUPAC2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1.Cl.Cl
InChIInChI=1S/C18H21N5O.2ClH/c1-3-10-18(2,19)17(24)22-13-8-9-16(20-11-13)23-12-21-14-6-4-5-7-15(14)23;;/h4-9,11-12H,3,10,19H2,1-2H3,(H,22,24);2*1H
InChIKeyQVEBTJFLWKNIFS-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.72
Rot. Bonds5

About 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride

2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride (PubChem CID 119850830) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
PubChem CID119850830
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC Name2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1.Cl.Cl
InChIInChI=1S/C18H21N5O.2ClH/c1-3-10-18(2,19)17(24)22-13-8-9-16(20-11-13)23-12-21-14-6-4-5-7-15(14)23;;/h4-9,11-12H,3,10,19H2,1-2H3,(H,22,24);2*1H
InChIKeyQVEBTJFLWKNIFS-UHFFFAOYSA-N
XLogP3.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride (CID 119850830) is 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride is CCCC(C)(N)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride?
The InChIKey is QVEBTJFLWKNIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.2ClH/c1-3-10-18(2,19)17(24)22-13-8-9-16(20-11-13)23-12-21-14-6-4-5-7-15(14)23;;/h4-9,11-12H,3,10,19H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride?
2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride has a molecular weight of 396.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119850830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).