[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone

C38H37N7O4 — CID 6483238

IUPAC[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cccc(O)c2)c(COc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4n3C3CCCCC3)cc2)c1)N1CCOCC1
InChIInChI=1S/C38H37N7O4/c46-31-8-4-5-26(22-31)33-15-11-28(38(47)44-17-19-48-20-18-44)21-29(33)24-49-32-13-9-25(10-14-32)37-39-34-23-27(36-40-42-43-41-36)12-16-35(34)45(37)30-6-2-1-3-7-30/h4-5,8-16,21-23,30,46H,1-3,6-7,17-20,24H2,(H,40,41,42,43)
InChIKeyUNNAPWQHSNGANG-UHFFFAOYSA-N
MW655.76 g/mol
LogP6.81
Rot. Bonds8

About [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone

[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 6483238) has the molecular formula C38H37N7O4 and a molecular weight of 655.76 g/mol. Its IUPAC name is [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
PubChem CID6483238
Molecular FormulaC38H37N7O4
Molecular Weight655.76 g/mol
Exact Mass655.29
IUPAC Name[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cccc(O)c2)c(COc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4n3C3CCCCC3)cc2)c1)N1CCOCC1
InChIInChI=1S/C38H37N7O4/c46-31-8-4-5-26(22-31)33-15-11-28(38(47)44-17-19-48-20-18-44)21-29(33)24-49-32-13-9-25(10-14-32)37-39-34-23-27(36-40-42-43-41-36)12-16-35(34)45(37)30-6-2-1-3-7-30/h4-5,8-16,21-23,30,46H,1-3,6-7,17-20,24H2,(H,40,41,42,43)
InChIKeyUNNAPWQHSNGANG-UHFFFAOYSA-N
XLogP6.81
TPSA131.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.76
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone (CID 6483238) is [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cccc(O)c2)c(COc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4n3C3CCCCC3)cc2)c1)N1CCOCC1.
What is the InChIKey of [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is UNNAPWQHSNGANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N7O4/c46-31-8-4-5-26(22-31)33-15-11-28(38(47)44-17-19-48-20-18-44)21-29(33)24-49-32-13-9-25(10-14-32)37-39-34-23-27(36-40-42-43-41-36)12-16-35(34)45(37)30-6-2-1-3-7-30/h4-5,8-16,21-23,30,46H,1-3,6-7,17-20,24H2,(H,40,41,42,43).
What are the key properties of [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone?
[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 655.76 g/mol, XLogP of 6.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6483238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).