N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C17H15N7OS — CID 6499887

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2[nH]1
InChIInChI=1S/C17H15N7OS/c1-11-18-14-8-7-12(9-15(14)19-11)20-16(25)10-26-17-21-22-23-24(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)(H,20,25)
InChIKeyYHAZMAPPJHHRMN-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.58
Rot. Bonds5

About N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 6499887) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID6499887
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2[nH]1
InChIInChI=1S/C17H15N7OS/c1-11-18-14-8-7-12(9-15(14)19-11)20-16(25)10-26-17-21-22-23-24(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)(H,20,25)
InChIKeyYHAZMAPPJHHRMN-UHFFFAOYSA-N
XLogP2.58
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(2-methyl-3H-benzimidazol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 6472025
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 2685083
2-(1-naphthalen-2-yltetrazol-5-yl)sulfanyl-N-quinoxalin-6-ylacetamide
CID 4898766
N-(3-chloro-4-methylphenyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8858057

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 6499887) is N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is Cc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YHAZMAPPJHHRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OS/c1-11-18-14-8-7-12(9-15(14)19-11)20-16(25)10-26-17-21-22-23-24(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)(H,20,25).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 365.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 6499887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).