3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C19H26N4O — CID 119897763

IUPAC3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nccn1CC1CCCN1C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-14(18(20)16-7-4-3-5-8-16)19(24)23-11-6-9-17(23)13-22-12-10-21-15(22)2/h3-5,7-8,10,12,14,17-18H,6,9,11,13,20H2,1-2H3
InChIKeyNVLAFZBCIYEFDV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.52
Rot. Bonds5

About 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119897763) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID119897763
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCc1nccn1CC1CCCN1C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C19H26N4O/c1-14(18(20)16-7-4-3-5-8-16)19(24)23-11-6-9-17(23)13-22-12-10-21-15(22)2/h3-5,7-8,10,12,14,17-18H,6,9,11,13,20H2,1-2H3
InChIKeyNVLAFZBCIYEFDV-UHFFFAOYSA-N
XLogP2.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{(S)-2-[(S)-2-(1H-Imidazole-2-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidin-1-yl}-4-phenyl-butan-1-one
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(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
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(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
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PREP inhibitor-1
CID 163321208
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 164614810
1-[(2S)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-phenylpentan-1-one
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4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 9956148
2,2-Diphenyl-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 10043307
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 119897763) is 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is Cc1nccn1CC1CCCN1C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is NVLAFZBCIYEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(18(20)16-7-4-3-5-8-16)19(24)23-11-6-9-17(23)13-22-12-10-21-15(22)2/h3-5,7-8,10,12,14,17-18H,6,9,11,13,20H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119897763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).