[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C14H24N4O — CID 72931422

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)[nH]1
InChIInChI=1S/C14H24N4O/c1-9(2)11-7-18(8-12(11)17(4)5)14(19)13-15-6-10(3)16-13/h6,9,11-12H,7-8H2,1-5H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyTZMPIXOXQFETMX-NWDGAFQWSA-N
MW264.37 g/mol
LogP1.38
Rot. Bonds3

About [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 72931422) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID72931422
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)[nH]1
InChIInChI=1S/C14H24N4O/c1-9(2)11-7-18(8-12(11)17(4)5)14(19)13-15-6-10(3)16-13/h6,9,11-12H,7-8H2,1-5H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyTZMPIXOXQFETMX-NWDGAFQWSA-N
XLogP1.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-[rel-(3R,4S)-1-(1H-imidazol-4-ylmethyl)-4-isopropyl-3-pyrrolidinyl]acetamide dihydrochloride
CID 72935029
N-Cyclopentyl-2-{methyl[(4-methyl-1H-imidazol-2-YL)methyl]amino}butanamide
CID 91839814
2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97396907
5-cyclopropyl-N-[1-(propan-2-yl)azetidin-3-yl]-1H-imidazole-2-carboxamide
CID 132227917
1-{3-[(1-Cyclopropyl-5-methyl-1H-imidazol-2-YL)methyl]pyrrolidin-1-YL}ethan-1-one
CID 110198065
3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-ethylpyrrolidine-1-carboxamide
CID 110198066
3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 110198067
3-[(1-Cyclopropyl-5-methyl-1H-imidazol-2-YL)methyl]-N~1~-methyl-1-pyrrolidinecarboxamide
CID 110198068
1-{3-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]-1-pyrrolidinyl}-1-ethanone
CID 110198073
N-methyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 110198074
2-Methyl-1-(3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}pyrrolidin-1-YL)propan-1-one
CID 110198077
1-(3-{[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}pyrrolidin-1-YL)propan-1-one
CID 110198078

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 72931422) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)[nH]1.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is TZMPIXOXQFETMX-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)11-7-18(8-12(11)17(4)5)14(19)13-15-6-10(3)16-13/h6,9,11-12H,7-8H2,1-5H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 72931422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).