N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

C19H23N3O — CID 99643437

IUPACN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C19H23N3O/c1-13-20-8-9-22(13)12-14-2-5-16(6-3-14)19(23)21-18-11-15-4-7-17(18)10-15/h2-3,5-6,8-9,15,17-18H,4,7,10-12H2,1H3,(H,21,23)/t15-,17-,18-/m1/s1
InChIKeyCCHXFRAQAFGXOH-KBAYOESNSA-N
MW309.41 g/mol
LogP3.16
Rot. Bonds4

About N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 99643437) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID99643437
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C19H23N3O/c1-13-20-8-9-22(13)12-14-2-5-16(6-3-14)19(23)21-18-11-15-4-7-17(18)10-15/h2-3,5-6,8-9,15,17-18H,4,7,10-12H2,1H3,(H,21,23)/t15-,17-,18-/m1/s1
InChIKeyCCHXFRAQAFGXOH-KBAYOESNSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide with MolForge

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
N-(2-bicyclo[2.2.1]heptanyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283519
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 125042170
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 99643437) is N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1nccn1Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is CCHXFRAQAFGXOH-KBAYOESNSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-20-8-9-22(13)12-14-2-5-16(6-3-14)19(23)21-18-11-15-4-7-17(18)10-15/h2-3,5-6,8-9,15,17-18H,4,7,10-12H2,1H3,(H,21,23)/t15-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 99643437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).