(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide

C20H28N4O — CID 97200953

IUPAC(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H28N4O/c1-15(2)19-21-9-12-24(19)16(3)20(25)22-14-17-7-6-8-18(13-17)23-10-4-5-11-23/h6-9,12-13,15-16H,4-5,10-11,14H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyBTXRQNPTZJBMFS-MRXNPFEDSA-N
MW340.47 g/mol
LogP3.48
Rot. Bonds6

About (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide

(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 97200953) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID97200953
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H28N4O/c1-15(2)19-21-9-12-24(19)16(3)20(25)22-14-17-7-6-8-18(13-17)23-10-4-5-11-23/h6-9,12-13,15-16H,4-5,10-11,14H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyBTXRQNPTZJBMFS-MRXNPFEDSA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
3-[2-[2-(2-propan-2-ylimidazol-1-yl)propanoylamino]ethoxy]benzoic acid
CID 121498392
(2S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97274088
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
(2S)-2-(azepan-1-yl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 124606786
(2R)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97194945
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72890918
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97279364
(3-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 118480871
(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97186963
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 46968486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 97200953) is (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide is CC(C)c1nccn1[C@H](C)C(=O)NCc1cccc(N2CCCC2)c1.
What is the InChIKey of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is BTXRQNPTZJBMFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)19-21-9-12-24(19)16(3)20(25)22-14-17-7-6-8-18(13-17)23-10-4-5-11-23/h6-9,12-13,15-16H,4-5,10-11,14H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 97200953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).