2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide

C16H26N8O — CID 45175362

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide
SMILESCc1nccn1CCNC(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C16H26N8O/c1-14-17-6-10-23(14)11-7-18-16(25)13-24-15(19-20-21-24)12-22-8-4-2-3-5-9-22/h6,10H,2-5,7-9,11-13H2,1H3,(H,18,25)
InChIKeyRWLOQGFBQFYECQ-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.37
Rot. Bonds7

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide (PubChem CID 45175362) has the molecular formula C16H26N8O and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide
PubChem CID45175362
Molecular FormulaC16H26N8O
Molecular Weight346.44 g/mol
Exact Mass346.22
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide
SMILESCc1nccn1CCNC(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C16H26N8O/c1-14-17-6-10-23(14)11-7-18-16(25)13-24-15(19-20-21-24)12-22-8-4-2-3-5-9-22/h6,10H,2-5,7-9,11-13H2,1H3,(H,18,25)
InChIKeyRWLOQGFBQFYECQ-UHFFFAOYSA-N
XLogP0.37
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
N-(3-cyclopropyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1-methyl-1H-imidazole-2-carboxamide
CID 91922592
N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
N-[3-(1H-imidazol-1-yl)propyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42197612
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]-2-(tetrazol-1-yl)acetamide
CID 132360677
2-[5-(1-azepanylmethyl)-1H-tetrazol-1-yl]-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]acetamide
CID 25274053
N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetamide
CID 42289435
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]acetamide
CID 42530058
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 42530283
[2-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-2-oxoethyl]methylamine dihydrochloride
CID 72915915

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide (CID 45175362) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide is Cc1nccn1CCNC(=O)Cn1nnnc1CN1CCCCCC1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide?
The InChIKey is RWLOQGFBQFYECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O/c1-14-17-6-10-23(14)11-7-18-16(25)13-24-15(19-20-21-24)12-22-8-4-2-3-5-9-22/h6,10H,2-5,7-9,11-13H2,1H3,(H,18,25).
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-[2-(2-methylimidazol-1-yl)ethyl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 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-[2-(2-methylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 45175362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).