N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

C16H20N6O — CID 118793681

IUPACN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)CCCn3cncn3)nc12
InChIInChI=1S/C16H20N6O/c1-12-5-3-6-13-16(12)20-14(19-13)9-21(2)15(23)7-4-8-22-11-17-10-18-22/h3,5-6,10-11H,4,7-9H2,1-2H3,(H,19,20)
InChIKeyOCNPNCNIWXBYQV-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 118793681) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID118793681
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1cccc2[nH]c(CN(C)C(=O)CCCn3cncn3)nc12
InChIInChI=1S/C16H20N6O/c1-12-5-3-6-13-16(12)20-14(19-13)9-21(2)15(23)7-4-8-22-11-17-10-18-22/h3,5-6,10-11H,4,7-9H2,1-2H3,(H,19,20)
InChIKeyOCNPNCNIWXBYQV-UHFFFAOYSA-N
XLogP1.90
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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Related Compounds

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773707
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 118783842
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70747961
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119654740
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 54913567
N-benzyl-N-(2-methylprop-2-enyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 126813929
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
CID 119358657
1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine
CID 86781685
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 86286656
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50980427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 118793681) is N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is Cc1cccc2[nH]c(CN(C)C(=O)CCCn3cncn3)nc12.
What is the InChIKey of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is OCNPNCNIWXBYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12-5-3-6-13-16(12)20-14(19-13)9-21(2)15(23)7-4-8-22-11-17-10-18-22/h3,5-6,10-11H,4,7-9H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 312.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 118793681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).