N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C21H25N7O2 — CID 71709629

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1
InChIInChI=1S/C21H25N7O2/c1-27-12-11-22-20(27)19(30)16-5-7-17(8-6-16)24-18(29)13-21(9-3-2-4-10-21)14-28-15-23-25-26-28/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,24,29)
InChIKeyJIFWYZCHSLAIME-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.62
Rot. Bonds7

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 71709629) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID71709629
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1
InChIInChI=1S/C21H25N7O2/c1-27-12-11-22-20(27)19(30)16-5-7-17(8-6-16)24-18(29)13-21(9-3-2-4-10-21)14-28-15-23-25-26-28/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,24,29)
InChIKeyJIFWYZCHSLAIME-UHFFFAOYSA-N
XLogP2.62
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 71709629) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)CC2(Cn3cnnn3)CCCCC2)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is JIFWYZCHSLAIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-27-12-11-22-20(27)19(30)16-5-7-17(8-6-16)24-18(29)13-21(9-3-2-4-10-21)14-28-15-23-25-26-28/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,24,29).
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 407.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 71709629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).