5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide

C24H27N7O2 — CID 25033440

IUPAC5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
SMILESCCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H27N7O2/c1-4-7-19-26-21(24(2,3)33)20(22(25)32)31(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)23-27-29-30-28-23/h5-6,8-13,33H,4,7,14H2,1-3H3,(H2,25,32)(H,27,28,29,30)
InChIKeyLPXQMQACJXQAOU-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.06
Rot. Bonds8

About 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide

5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide (PubChem CID 25033440) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
PubChem CID25033440
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
SMILESCCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H27N7O2/c1-4-7-19-26-21(24(2,3)33)20(22(25)32)31(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)23-27-29-30-28-23/h5-6,8-13,33H,4,7,14H2,1-3H3,(H2,25,32)(H,27,28,29,30)
InChIKeyLPXQMQACJXQAOU-UHFFFAOYSA-N
XLogP3.06
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide (CID 25033440) is 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide is CCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is LPXQMQACJXQAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-4-7-19-26-21(24(2,3)33)20(22(25)32)31(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)23-27-29-30-28-23/h5-6,8-13,33H,4,7,14H2,1-3H3,(H2,25,32)(H,27,28,29,30).
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide?
5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 25033440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).