5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide

C21H27N3O — CID 90762489

IUPAC5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)ncn1-c1ccccc1
InChIInChI=1S/C21H27N3O/c1-14-17(22-13-24(14)16-8-6-5-7-9-16)18(25)23-19-20(2,3)15-10-11-21(19,4)12-15/h5-9,13,15,19H,10-12H2,1-4H3,(H,23,25)/t15-,19-,21+/m0/s1
InChIKeyYXCIONXFEBHBQJ-PAXLWEDBSA-N
MW337.47 g/mol
LogP4.13
Rot. Bonds3

About 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide

5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide (PubChem CID 90762489) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
PubChem CID90762489
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)ncn1-c1ccccc1
InChIInChI=1S/C21H27N3O/c1-14-17(22-13-24(14)16-8-6-5-7-9-16)18(25)23-19-20(2,3)15-10-11-21(19,4)12-15/h5-9,13,15,19H,10-12H2,1-4H3,(H,23,25)/t15-,19-,21+/m0/s1
InChIKeyYXCIONXFEBHBQJ-PAXLWEDBSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 140061023
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CID 156897865
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide (CID 90762489) is 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide is Cc1c(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)ncn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
The InChIKey is YXCIONXFEBHBQJ-PAXLWEDBSA-N. The full InChI is InChI=1S/C21H27N3O/c1-14-17(22-13-24(14)16-8-6-5-7-9-16)18(25)23-19-20(2,3)15-10-11-21(19,4)12-15/h5-9,13,15,19H,10-12H2,1-4H3,(H,23,25)/t15-,19-,21+/m0/s1.
What are the key properties of 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide?
5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide is sourced from PubChem (CID 90762489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).