[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate

C19H25N3O2 — CID 167428317

IUPAC[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)O[C@H]1CCn2ccnc21
InChIInChI=1S/C19H25N3O2/c1-12(2)14-6-5-7-15(13(3)4)17(14)21-19(23)24-16-8-10-22-11-9-20-18(16)22/h5-7,9,11-13,16H,8,10H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyMXXUAOOKDQSZMD-INIZCTEOSA-N
MW327.43 g/mol
LogP4.82
Rot. Bonds4

About [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate

[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate (PubChem CID 167428317) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate
PubChem CID167428317
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)O[C@H]1CCn2ccnc21
InChIInChI=1S/C19H25N3O2/c1-12(2)14-6-5-7-15(13(3)4)17(14)21-19(23)24-16-8-10-22-11-9-20-18(16)22/h5-7,9,11-13,16H,8,10H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyMXXUAOOKDQSZMD-INIZCTEOSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2-[3-[2-[[2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)acetyl]amino]ethyl]phenyl]ethyl]carbamate
CID 130312927
(2S)-1-[(R)-tert-butylsulfinyl]-N-[2,6-di(propan-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 54763034
1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
CID 69081563
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-[2,6-di(propan-2-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103376
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid
CID 170188203
N-[2,6-di(propan-2-yl)phenyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108986194
N-[2,6-di(propan-2-yl)phenyl]imidazole-1-carboxamide
CID 164927407

Frequently Asked Questions

What is the IUPAC name of [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate?
The IUPAC name of [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate (CID 167428317) is [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate.
What is the SMILES notation for [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate?
The canonical SMILES for [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate is CC(C)c1cccc(C(C)C)c1NC(=O)O[C@H]1CCn2ccnc21.
What is the InChIKey of [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate?
The InChIKey is MXXUAOOKDQSZMD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)14-6-5-7-15(13(3)4)17(14)21-19(23)24-16-8-10-22-11-9-20-18(16)22/h5-7,9,11-13,16H,8,10H2,1-4H3,(H,21,23)/t16-/m0/s1.
What are the key properties of [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate?
[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl] N-[2,6-di(propan-2-yl)phenyl]carbamate is sourced from PubChem (CID 167428317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).