2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide

C18H24N6O — CID 146044951

IUPAC2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCCCCn1nc(CC(=O)NC)nc1Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C18H24N6O/c1-4-5-8-24-17(22-16(23-24)11-18(25)19-3)10-13-6-7-14-15(9-13)21-12(2)20-14/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyBZAJHJHFBWSVAT-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.14
Rot. Bonds7

About 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide

2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide (PubChem CID 146044951) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide
PubChem CID146044951
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCCCCn1nc(CC(=O)NC)nc1Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C18H24N6O/c1-4-5-8-24-17(22-16(23-24)11-18(25)19-3)10-13-6-7-14-15(9-13)21-12(2)20-14/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyBZAJHJHFBWSVAT-UHFFFAOYSA-N
XLogP2.14
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide with MolForge

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Related Compounds

formic acid;N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 154920139
N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 146045139
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2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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CID 116846538
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(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide (CID 146044951) is 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide is CCCCn1nc(CC(=O)NC)nc1Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The InChIKey is BZAJHJHFBWSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-4-5-8-24-17(22-16(23-24)11-18(25)19-3)10-13-6-7-14-15(9-13)21-12(2)20-14/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,19,25)(H,20,21).
What are the key properties of 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide has a molecular weight of 340.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 146044951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).