N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide

C14H16N8O2 — CID 112528053

IUPACN-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCN(C)C(=O)Nc1cnn(CC(=O)Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H16N8O2/c1-21(2)14(24)18-11-7-15-22(20-11)8-12(23)19-13-16-9-5-3-4-6-10(9)17-13/h3-7H,8H2,1-2H3,(H,18,20,24)(H2,16,17,19,23)
InChIKeyFAOFRPWZPKCGSH-UHFFFAOYSA-N
MW328.34 g/mol
LogP0.89
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (PubChem CID 112528053) has the molecular formula C14H16N8O2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
PubChem CID112528053
Molecular FormulaC14H16N8O2
Molecular Weight328.34 g/mol
Exact Mass328.14
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCN(C)C(=O)Nc1cnn(CC(=O)Nc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H16N8O2/c1-21(2)14(24)18-11-7-15-22(20-11)8-12(23)19-13-16-9-5-3-4-6-10(9)17-13/h3-7H,8H2,1-2H3,(H,18,20,24)(H2,16,17,19,23)
InChIKeyFAOFRPWZPKCGSH-UHFFFAOYSA-N
XLogP0.89
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 112528014
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-4-yl)acetamide
CID 112526516
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522692
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063843
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
2-(3-aminopyrazol-1-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 55214703
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112521261
3-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
CID 112532228
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112527147
N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7999180

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (CID 112528053) is N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is CN(C)C(=O)Nc1cnn(CC(=O)Nc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The InChIKey is FAOFRPWZPKCGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O2/c1-21(2)14(24)18-11-7-15-22(20-11)8-12(23)19-13-16-9-5-3-4-6-10(9)17-13/h3-7H,8H2,1-2H3,(H,18,20,24)(H2,16,17,19,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide has a molecular weight of 328.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is sourced from PubChem (CID 112528053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).