N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C23H22N4O2 — CID 16963792

IUPACN-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-17(25-23(28)18-8-7-13-24-16-18)22-26-20-11-5-6-12-21(20)27(22)14-15-29-19-9-3-2-4-10-19/h2-13,16-17H,14-15H2,1H3,(H,25,28)
InChIKeyOJEREXRHERLLRX-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.00
Rot. Bonds7

About N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16963792) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16963792
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C23H22N4O2/c1-17(25-23(28)18-8-7-13-24-16-18)22-26-20-11-5-6-12-21(20)27(22)14-15-29-19-9-3-2-4-10-19/h2-13,16-17H,14-15H2,1H3,(H,25,28)
InChIKeyOJEREXRHERLLRX-UHFFFAOYSA-N
XLogP4.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[1-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963863
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963861
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[1-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963822
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009819
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
3-methyl-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967105
ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16963894
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16963792) is N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is OJEREXRHERLLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-17(25-23(28)18-8-7-13-24-16-18)22-26-20-11-5-6-12-21(20)27(22)14-15-29-19-9-3-2-4-10-19/h2-13,16-17H,14-15H2,1H3,(H,25,28).
What are the key properties of N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16963792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).