N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C24H23ClN4O2 — CID 16964027

IUPACN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C24H23ClN4O2/c25-19-9-11-20(12-10-19)31-15-4-3-14-29-22-8-2-1-7-21(22)28-23(29)17-27-24(30)18-6-5-13-26-16-18/h1-2,5-13,16H,3-4,14-15,17H2,(H,27,30)
InChIKeyRHIWTMBCRDCNMV-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.87
Rot. Bonds9

About N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16964027) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16964027
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC NameN-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C24H23ClN4O2/c25-19-9-11-20(12-10-19)31-15-4-3-14-29-22-8-2-1-7-21(22)28-23(29)17-27-24(30)18-6-5-13-26-16-18/h1-2,5-13,16H,3-4,14-15,17H2,(H,27,30)
InChIKeyRHIWTMBCRDCNMV-UHFFFAOYSA-N
XLogP4.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.87
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-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
N-[[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17009076
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964514
2-chloro-N-[[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007500
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963981
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965650
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008310

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16964027) is N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is O=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is RHIWTMBCRDCNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c25-19-9-11-20(12-10-19)31-15-4-3-14-29-22-8-2-1-7-21(22)28-23(29)17-27-24(30)18-6-5-13-26-16-18/h1-2,5-13,16H,3-4,14-15,17H2,(H,27,30).
What are the key properties of N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).