N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C18H17N7O2S — CID 18131458

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCn1ccnc1C(NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1
InChIInChI=1S/C18H17N7O2S/c1-23-10-9-19-17(23)16(13-6-3-2-4-7-13)20-14(26)12-24-18(27)25(22-21-24)15-8-5-11-28-15/h2-11,16H,12H2,1H3,(H,20,26)
InChIKeyIESLKMTXSVIBGU-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.13
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 18131458) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID18131458
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCn1ccnc1C(NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1
InChIInChI=1S/C18H17N7O2S/c1-23-10-9-19-17(23)16(13-6-3-2-4-7-13)20-14(26)12-24-18(27)25(22-21-24)15-8-5-11-28-15/h2-11,16H,12H2,1H3,(H,20,26)
InChIKeyIESLKMTXSVIBGU-UHFFFAOYSA-N
XLogP1.13
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 17424139
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 90647674
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 42933607
N-[1-(2,4-dichlorophenyl)ethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 24581360
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25334274
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18102286
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
CID 46650550
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 18131458) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is Cn1ccnc1C(NC(=O)Cn1nnn(-c2cccs2)c1=O)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is IESLKMTXSVIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-23-10-9-19-17(23)16(13-6-3-2-4-7-13)20-14(26)12-24-18(27)25(22-21-24)15-8-5-11-28-15/h2-11,16H,12H2,1H3,(H,20,26).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 395.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 18131458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).