N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C17H21N7O — CID 125433760

IUPACN-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H21N7O/c25-16(21-13-4-5-14-15(8-13)19-11-18-14)9-17(6-2-1-3-7-17)10-24-12-20-22-23-24/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,18,19)(H,21,25)
InChIKeyHTOZDFQKRIXKIO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.53
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125433760) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125433760
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H21N7O/c25-16(21-13-4-5-14-15(8-13)19-11-18-14)9-17(6-2-1-3-7-17)10-24-12-20-22-23-24/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,18,19)(H,21,25)
InChIKeyHTOZDFQKRIXKIO-UHFFFAOYSA-N
XLogP2.53
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 125433760) is N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is HTOZDFQKRIXKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c25-16(21-13-4-5-14-15(8-13)19-11-18-14)9-17(6-2-1-3-7-17)10-24-12-20-22-23-24/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,18,19)(H,21,25).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125433760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).