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

C18H20N8O — CID 146045139

IUPACN-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(Cc2ccc3nc(C)[nH]c3c2)n(-c2cnn(C)c2)n1
InChIInChI=1S/C18H20N8O/c1-11-21-14-5-4-12(6-15(14)22-11)7-17-23-16(8-18(27)19-2)24-26(17)13-9-20-25(3)10-13/h4-6,9-10H,7-8H2,1-3H3,(H,19,27)(H,21,22)
InChIKeyBFSCZQQIIVBDLE-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.06
Rot. Bonds5

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

N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146045139) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146045139
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(Cc2ccc3nc(C)[nH]c3c2)n(-c2cnn(C)c2)n1
InChIInChI=1S/C18H20N8O/c1-11-21-14-5-4-12(6-15(14)22-11)7-17-23-16(8-18(27)19-2)24-26(17)13-9-20-25(3)10-13/h4-6,9-10H,7-8H2,1-3H3,(H,19,27)(H,21,22)
InChIKeyBFSCZQQIIVBDLE-UHFFFAOYSA-N
XLogP1.06
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146044951
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CID 154920139
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
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CID 115139875
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CID 116847491
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CID 82498408
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 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) is N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide is CNC(=O)Cc1nc(Cc2ccc3nc(C)[nH]c3c2)n(-c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BFSCZQQIIVBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11-21-14-5-4-12(6-15(14)22-11)7-17-23-16(8-18(27)19-2)24-26(17)13-9-20-25(3)10-13/h4-6,9-10H,7-8H2,1-3H3,(H,19,27)(H,21,22).
What are the key properties of N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide?
N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146045139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).