N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

C25H26N4O2 — CID 16966576

IUPACN-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1cccc(C)c1OCCCn1c(CNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C25H26N4O2/c1-18-9-7-10-19(2)24(18)31-16-8-15-29-22-13-4-3-11-20(22)28-23(29)17-27-25(30)21-12-5-6-14-26-21/h3-7,9-14H,8,15-17H2,1-2H3,(H,27,30)
InChIKeyBOOAIHKUOCRTOJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.45
Rot. Bonds8

About N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966576) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966576
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCc1cccc(C)c1OCCCn1c(CNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C25H26N4O2/c1-18-9-7-10-19(2)24(18)31-16-8-15-29-22-13-4-3-11-20(22)28-23(29)17-27-25(30)21-12-5-6-14-26-21/h3-7,9-14H,8,15-17H2,1-2H3,(H,27,30)
InChIKeyBOOAIHKUOCRTOJ-UHFFFAOYSA-N
XLogP4.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966551
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006880
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]butanamide
CID 16968918
4-chloro-N-[[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009086
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966571
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966412
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966506
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980865
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963959

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966576) is N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is Cc1cccc(C)c1OCCCn1c(CNC(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is BOOAIHKUOCRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-9-7-10-19(2)24(18)31-16-8-15-29-22-13-4-3-11-20(22)28-23(29)17-27-25(30)21-12-5-6-14-26-21/h3-7,9-14H,8,15-17H2,1-2H3,(H,27,30).
What are the key properties of N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).