1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone

C9H13N3O — CID 89293635

IUPAC1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)c2cnc[nH]2)C1
InChIInChI=1S/C9H13N3O/c1-7-2-3-12(5-7)9(13)8-4-10-6-11-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyBBMWQOZGEMHYLS-SSDOTTSWSA-N
MW179.22 g/mol
LogP0.89
Rot. Bonds1

About 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone

1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 89293635) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
PubChem CID89293635
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CCN(C(=O)c2cnc[nH]2)C1
InChIInChI=1S/C9H13N3O/c1-7-2-3-12(5-7)9(13)8-4-10-6-11-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)/t7-/m1/s1
InChIKeyBBMWQOZGEMHYLS-SSDOTTSWSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568032
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144377
[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
CID 127895292
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
1H-imidazol-5-yl-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125016046
N-methyl-N-(1-methylpiperidin-4-yl)-1H-imidazole-5-carboxamide
CID 110475288

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone (CID 89293635) is 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone is C[C@@H]1CCN(C(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is BBMWQOZGEMHYLS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-3-12(5-7)9(13)8-4-10-6-11-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)/t7-/m1/s1.
What are the key properties of 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone?
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 179.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 89293635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).