2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide

C26H29N3O — CID 100992383

IUPAC2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCC(C)NC(=O)c1c([C@H]2N(c3ccccc3)C[C@@H]3CCCN32)ccc2ccccc12
InChIInChI=1S/C26H29N3O/c1-18(2)27-25(30)24-22-13-7-6-9-19(22)14-15-23(24)26-28-16-8-12-21(28)17-29(26)20-10-4-3-5-11-20/h3-7,9-11,13-15,18,21,26H,8,12,16-17H2,1-2H3,(H,27,30)/t21-,26+/m0/s1
InChIKeyVAIHPQORQFZBHS-HFZDXXHNSA-N
MW399.54 g/mol
LogP4.96
Rot. Bonds4

About 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide

2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide (PubChem CID 100992383) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide
PubChem CID100992383
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCC(C)NC(=O)c1c([C@H]2N(c3ccccc3)C[C@@H]3CCCN32)ccc2ccccc12
InChIInChI=1S/C26H29N3O/c1-18(2)27-25(30)24-22-13-7-6-9-19(22)14-15-23(24)26-28-16-8-12-21(28)17-29(26)20-10-4-3-5-11-20/h3-7,9-11,13-15,18,21,26H,8,12,16-17H2,1-2H3,(H,27,30)/t21-,26+/m0/s1
InChIKeyVAIHPQORQFZBHS-HFZDXXHNSA-N
XLogP4.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide with MolForge

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Related Compounds

2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-3-carboxylate
CID 22172549
butyl 2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole-3-carboxylate
CID 13025491
1-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3-propan-2-ylurea
CID 166315592
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-[4-[2-(1-naphthalen-1-ylethylamino)pyrrolidin-1-yl]phenyl]acetic acid;hydrobromide
CID 121468318
3-ethoxy-N-(1-naphthalen-1-ylethyl)piperidine-1-carboxamide
CID 47754586
(4-methoxyphenyl)-(3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-2-yl)methanone
CID 110316317
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
CID 58422854

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide?
The IUPAC name of 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide (CID 100992383) is 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide is CC(C)NC(=O)c1c([C@H]2N(c3ccccc3)C[C@@H]3CCCN32)ccc2ccccc12.
What is the InChIKey of 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide?
The InChIKey is VAIHPQORQFZBHS-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H29N3O/c1-18(2)27-25(30)24-22-13-7-6-9-19(22)14-15-23(24)26-28-16-8-12-21(28)17-29(26)20-10-4-3-5-11-20/h3-7,9-11,13-15,18,21,26H,8,12,16-17H2,1-2H3,(H,27,30)/t21-,26+/m0/s1.
What are the key properties of 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide?
2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,7aS)-2-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazol-3-yl]-N-propan-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 100992383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).