[(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate

C24H31N3O2 — CID 170420131

IUPAC[(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate
SMILESCC1CC2CC(C)CC(NC(=O)O[C@H]3C[C@H](c4ccccc4)n4ccnc43)(C1)C2
InChIInChI=1S/C24H31N3O2/c1-16-10-18-11-17(2)14-24(13-16,15-18)26-23(28)29-21-12-20(19-6-4-3-5-7-19)27-9-8-25-22(21)27/h3-9,16-18,20-21H,10-15H2,1-2H3,(H,26,28)/t16?,17?,18?,20-,21+,24?/m1/s1
InChIKeyNXMHUIWTLQGJMO-SZZCDPMRSA-N
MW393.53 g/mol
LogP5.25
Rot. Bonds3

About [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate

[(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate (PubChem CID 170420131) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate.

Molecular Properties

Compound Name[(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate
PubChem CID170420131
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name[(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate
SMILESCC1CC2CC(C)CC(NC(=O)O[C@H]3C[C@H](c4ccccc4)n4ccnc43)(C1)C2
InChIInChI=1S/C24H31N3O2/c1-16-10-18-11-17(2)14-24(13-16,15-18)26-23(28)29-21-12-20(19-6-4-3-5-7-19)27-9-8-25-22(21)27/h3-9,16-18,20-21H,10-15H2,1-2H3,(H,26,28)/t16?,17?,18?,20-,21+,24?/m1/s1
InChIKeyNXMHUIWTLQGJMO-SZZCDPMRSA-N
XLogP5.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate with MolForge

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Related Compounds

6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-(1-adamantyl)carbamate
CID 130313063
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-3-(3-phenoxyphenyl)urea
CID 143220096
N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide
CID 3328396
[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(1-adamantyl)carbamate;[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-tert-butylcarbamate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)ethyl]phenyl]ethyl]carbamate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[9-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)nonyl]carbamate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate;6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[3-[2-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)propyl]phenyl]propyl]carbamate
CID 157170098
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
N-(1-adamantyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581490
methyl (1R,3S,5S,8S)-3-methyl-1,5-diphenyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 134962694
N-(1-adamantyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495720
N-(1-adamantylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529209
methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 70354637
N-(1-adamantyl)-2-(2-phenoxyethylsulfanyl)acetamide
CID 3768957
2-(1-adamantylcarbamoyloxy)ethyl-phenylazanium
CID 7060496

Frequently Asked Questions

What is the IUPAC name of [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate?
The IUPAC name of [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate (CID 170420131) is [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate.
What is the SMILES notation for [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate?
The canonical SMILES for [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate is CC1CC2CC(C)CC(NC(=O)O[C@H]3C[C@H](c4ccccc4)n4ccnc43)(C1)C2.
What is the InChIKey of [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate?
The InChIKey is NXMHUIWTLQGJMO-SZZCDPMRSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-16-10-18-11-17(2)14-24(13-16,15-18)26-23(28)29-21-12-20(19-6-4-3-5-7-19)27-9-8-25-22(21)27/h3-9,16-18,20-21H,10-15H2,1-2H3,(H,26,28)/t16?,17?,18?,20-,21+,24?/m1/s1.
What are the key properties of [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate?
[(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate has a molecular weight of 393.53 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7S)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamate is sourced from PubChem (CID 170420131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).