N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

C21H25N5O2 — CID 16966465

IUPACN-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)Cn1c(CCNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C21H25N5O2/c1-3-25(4-2)20(27)15-26-18-11-6-5-9-16(18)24-19(26)12-14-23-21(28)17-10-7-8-13-22-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,28)
InChIKeyWSEHJUINHDFHOS-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.27
Rot. Bonds8

About N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide

N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 16966465) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
PubChem CID16966465
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)Cn1c(CCNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C21H25N5O2/c1-3-25(4-2)20(27)15-26-18-11-6-5-9-16(18)24-19(26)12-14-23-21(28)17-10-7-8-13-22-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,28)
InChIKeyWSEHJUINHDFHOS-UHFFFAOYSA-N
XLogP2.27
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978024
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966475
(E)-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]but-2-enamide
CID 16980168
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982471
N-[3-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966177
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966317
2-[2-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 16986503

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide (CID 16966465) is N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is CCN(CC)C(=O)Cn1c(CCNC(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is WSEHJUINHDFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-25(4-2)20(27)15-26-18-11-6-5-9-16(18)24-19(26)12-14-23-21(28)17-10-7-8-13-22-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide?
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).