N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C16H17N7OS — CID 90556810

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C16H17N7OS/c1-22-16(19-20-21-22)25-10-15(24)18-12-5-2-4-11(8-12)13-9-17-14-6-3-7-23(13)14/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,18,24)
InChIKeyMKEQFMHEYIBBAE-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.75
Rot. Bonds5

About N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 90556810) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID90556810
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(-c2cnc3n2CCC3)c1
InChIInChI=1S/C16H17N7OS/c1-22-16(19-20-21-22)25-10-15(24)18-12-5-2-4-11(8-12)13-9-17-14-6-3-7-23(13)14/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,18,24)
InChIKeyMKEQFMHEYIBBAE-UHFFFAOYSA-N
XLogP1.75
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
CID 90556927
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
3-cyclohexyl-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]propanamide
CID 90556846
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90556814
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90556928
1-(4-butoxyphenyl)-3-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]urea
CID 90557031
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-ethoxyphenyl)urea
CID 90557016
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3-phenylpropyl)urea
CID 90557029
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 90556810) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1cccc(-c2cnc3n2CCC3)c1.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MKEQFMHEYIBBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-22-16(19-20-21-22)25-10-15(24)18-12-5-2-4-11(8-12)13-9-17-14-6-3-7-23(13)14/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,18,24).
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 355.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 90556810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).