N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C24H24N4O2 — CID 16963981

IUPACN-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C24H24N4O2/c1-18-8-2-5-12-22(18)30-15-7-14-28-21-11-4-3-10-20(21)27-23(28)17-26-24(29)19-9-6-13-25-16-19/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,26,29)
InChIKeyOGEDCHOVIVXMCM-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.14
Rot. Bonds8

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

N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16963981) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16963981
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccccc1OCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C24H24N4O2/c1-18-8-2-5-12-22(18)30-15-7-14-28-21-11-4-3-10-20(21)27-23(28)17-26-24(29)19-9-6-13-25-16-19/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,26,29)
InChIKeyOGEDCHOVIVXMCM-UHFFFAOYSA-N
XLogP4.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.14
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-3-carboxamide
CID 16963959
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964027
N-[[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007322
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 17006449
N-[3-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964498
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16963981) is N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is Cc1ccccc1OCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OGEDCHOVIVXMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-18-8-2-5-12-22(18)30-15-7-14-28-21-11-4-3-10-20(21)27-23(28)17-26-24(29)19-9-6-13-25-16-19/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,26,29).
What are the key properties of N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.14, 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-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16963981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).