2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

C18H30N8O — CID 25274053

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nccn1C)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C18H30N8O/c1-15(2)25(13-16-19-8-11-23(16)3)18(27)14-26-17(20-21-22-26)12-24-9-6-4-5-7-10-24/h8,11,15H,4-7,9-10,12-14H2,1-3H3
InChIKeyGSUVYSFBYFDRBE-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.22
Rot. Bonds7

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 25274053) has the molecular formula C18H30N8O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID25274053
Molecular FormulaC18H30N8O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nccn1C)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C18H30N8O/c1-15(2)25(13-16-19-8-11-23(16)3)18(27)14-26-17(20-21-22-26)12-24-9-6-4-5-7-10-24/h8,11,15H,4-7,9-10,12-14H2,1-3H3
InChIKeyGSUVYSFBYFDRBE-UHFFFAOYSA-N
XLogP1.22
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
1-(Azepan-1-yl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53557751
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)piperazine
CID 42517825
1-({4-methyl-5-[1-(1H-1,2,3-triazol-1-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)azepane
CID 72842358
1-[(3S)-3-(1-cyclopentyltetrazol-5-yl)-3-(diethylamino)pyrrolidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 164637368
[4-[(1-Methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-propylpyrrolidin-2-yl)methanone
CID 53616581
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 128183320
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 128994227
1-ethyl-3-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyrazin-2-one
CID 128994338
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 132360677
N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 167829193

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide (CID 25274053) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide is CC(C)N(Cc1nccn1C)C(=O)Cn1nnnc1CN1CCCCCC1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is GSUVYSFBYFDRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O/c1-15(2)25(13-16-19-8-11-23(16)3)18(27)14-26-17(20-21-22-26)12-24-9-6-4-5-7-10-24/h8,11,15H,4-7,9-10,12-14H2,1-3H3.
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 374.49 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25274053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).