2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide

C24H25N5O2 — CID 23433003

IUPAC2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESCN(CCCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cn1)Cc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-29(16-17-7-3-2-4-8-17)13-6-14-31-21-12-11-18(15-26-21)24-27-20-10-5-9-19(23(25)30)22(20)28-24/h2-5,7-12,15H,6,13-14,16H2,1H3,(H2,25,30)(H,27,28)
InChIKeyYJBKWDDOWDPKSV-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.62
Rot. Bonds9

About 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide

2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 23433003) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID23433003
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESCN(CCCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cn1)Cc1ccccc1
InChIInChI=1S/C24H25N5O2/c1-29(16-17-7-3-2-4-8-17)13-6-14-31-21-12-11-18(15-26-21)24-27-20-10-5-9-19(23(25)30)22(20)28-24/h2-5,7-12,15H,6,13-14,16H2,1H3,(H2,25,30)(H,27,28)
InChIKeyYJBKWDDOWDPKSV-UHFFFAOYSA-N
XLogP3.62
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide 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-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 23433003) is 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide is CN(CCCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cn1)Cc1ccccc1.
What is the InChIKey of 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is YJBKWDDOWDPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-29(16-17-7-3-2-4-8-17)13-6-14-31-21-12-11-18(15-26-21)24-27-20-10-5-9-19(23(25)30)22(20)28-24/h2-5,7-12,15H,6,13-14,16H2,1H3,(H2,25,30)(H,27,28).
What are the key properties of 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[benzyl(methyl)amino]propoxy]-3-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 23433003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).