N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide

C26H28N6O2 — CID 23393915

IUPACN-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1c(=O)[nH]c2ccc(CCN3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C26H28N6O2/c33-25(28-19-21-6-2-1-3-7-21)32-23-18-20(9-10-22(23)29-26(32)34)11-13-30-14-16-31(17-15-30)24-8-4-5-12-27-24/h1-10,12,18H,11,13-17,19H2,(H,28,33)(H,29,34)
InChIKeyUORWGGKAXXEFIH-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide

N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide (PubChem CID 23393915) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide
PubChem CID23393915
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1c(=O)[nH]c2ccc(CCN3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C26H28N6O2/c33-25(28-19-21-6-2-1-3-7-21)32-23-18-20(9-10-22(23)29-26(32)34)11-13-30-14-16-31(17-15-30)24-8-4-5-12-27-24/h1-10,12,18H,11,13-17,19H2,(H,28,33)(H,29,34)
InChIKeyUORWGGKAXXEFIH-UHFFFAOYSA-N
XLogP2.85
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one
CID 22163814
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
(2R)-4-(benzylamino)-4-oxo-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]butanoic acid
CID 52901755
3-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 162665066
5-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 167796027
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327240
3-[5-(4-pyrimidin-4-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127999
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide (CID 23393915) is N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide is O=C(NCc1ccccc1)n1c(=O)[nH]c2ccc(CCN3CCN(c4ccccn4)CC3)cc21.
What is the InChIKey of N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide?
The InChIKey is UORWGGKAXXEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c33-25(28-19-21-6-2-1-3-7-21)32-23-18-20(9-10-22(23)29-26(32)34)11-13-30-14-16-31(17-15-30)24-8-4-5-12-27-24/h1-10,12,18H,11,13-17,19H2,(H,28,33)(H,29,34).
What are the key properties of N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide?
N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 23393915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).