[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate

C23H30N4O3 — CID 174989640

IUPAC[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESCn1cc(-c2ccccc2)nc1[C@@H]1CCCN1C(=O)C(CC1CCCC1)OC(N)=O
InChIInChI=1S/C23H30N4O3/c1-26-15-18(17-10-3-2-4-11-17)25-21(26)19-12-7-13-27(19)22(28)20(30-23(24)29)14-16-8-5-6-9-16/h2-4,10-11,15-16,19-20H,5-9,12-14H2,1H3,(H2,24,29)/t19-,20?/m0/s1
InChIKeyAIFNKCPDGLFTTR-XJDOXCRVSA-N
MW410.52 g/mol
LogP3.79
Rot. Bonds6

About [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate

[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate (PubChem CID 174989640) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
PubChem CID174989640
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESCn1cc(-c2ccccc2)nc1[C@@H]1CCCN1C(=O)C(CC1CCCC1)OC(N)=O
InChIInChI=1S/C23H30N4O3/c1-26-15-18(17-10-3-2-4-11-17)25-21(26)19-12-7-13-27(19)22(28)20(30-23(24)29)14-16-8-5-6-9-16/h2-4,10-11,15-16,19-20H,5-9,12-14H2,1H3,(H2,24,29)/t19-,20?/m0/s1
InChIKeyAIFNKCPDGLFTTR-XJDOXCRVSA-N
XLogP3.79
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-[(2S)-2-[1-methyl-4-[4-[5-[[1-[(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-propan-2-ylcarbamic acid
CID 66833064
(E)-1-[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110104334
1-[2-[1-acetyl-4-(4-methylphenyl)imidazol-2-yl]piperidin-1-yl]-2-methylbutan-1-one
CID 164873686
(2S)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-methylbutan-1-one
CID 164615803
[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl] carbamate
CID 71149716
2-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 60852760
(2R)-2-amino-1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 120873617
3-amino-4-oxo-4-(2-phenylpyrrolidin-1-yl)butanoic acid
CID 64897035
1-[2-[4-(4-methylphenyl)-1-(2-methylsulfanylpropanoyl)imidazol-2-yl]piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 164873682
(2S)-1-acetyl-N-(1-methyl-4-phenylimidazol-2-yl)pyrrolidine-2-carboxamide
CID 167798698
[(2S)-1-[(2S)-2-[5-[4-[4-[2-[1-[2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-(2H-triazol-4-yl)propan-2-yl] carbamate
CID 70937068
(2R)-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(methylamino)-3-sulfanylpropan-1-one
CID 164610108

Frequently Asked Questions

What is the IUPAC name of [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
The IUPAC name of [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate (CID 174989640) is [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate is Cn1cc(-c2ccccc2)nc1[C@@H]1CCCN1C(=O)C(CC1CCCC1)OC(N)=O.
What is the InChIKey of [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
The InChIKey is AIFNKCPDGLFTTR-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-26-15-18(17-10-3-2-4-11-17)25-21(26)19-12-7-13-27(19)22(28)20(30-23(24)29)14-16-8-5-6-9-16/h2-4,10-11,15-16,19-20H,5-9,12-14H2,1H3,(H2,24,29)/t19-,20?/m0/s1.
What are the key properties of [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate?
[3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate has a molecular weight of 410.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopentyl-1-[(2S)-2-(1-methyl-4-phenylimidazol-2-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 174989640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).