N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide

C20H20N6O2 — CID 131947626

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
SMILESCOc1ccc2nc(CCN(C)C(=O)c3ccccc3-n3cncn3)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-25(10-9-19-23-16-8-7-14(28-2)11-17(16)24-19)20(27)15-5-3-4-6-18(15)26-13-21-12-22-26/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyXLKMONFSDIATRH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 131947626) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID131947626
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide
SMILESCOc1ccc2nc(CCN(C)C(=O)c3ccccc3-n3cncn3)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-25(10-9-19-23-16-8-7-14(28-2)11-17(16)24-19)20(27)15-5-3-4-6-18(15)26-13-21-12-22-26/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyXLKMONFSDIATRH-UHFFFAOYSA-N
XLogP2.47
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
3-[(2R)-2-imidazol-1-ylpropyl]-1-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1-methylurea
CID 125442242
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 90649915
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86859939
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 77078996
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
3-(1H-benzimidazol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 17470683
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide
CID 42165294
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937550

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide (CID 131947626) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide is COc1ccc2nc(CCN(C)C(=O)c3ccccc3-n3cncn3)[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is XLKMONFSDIATRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25(10-9-19-23-16-8-7-14(28-2)11-17(16)24-19)20(27)15-5-3-4-6-18(15)26-13-21-12-22-26/h3-8,11-13H,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 131947626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).