1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole

C15H19N3O — CID 104874886

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
SMILESCO[C@H]1CNCC1n1cncc1-c1cccc(C)c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-12(6-11)13-7-17-10-18(13)14-8-16-9-15(14)19-2/h3-7,10,14-16H,8-9H2,1-2H3/t14?,15-/m0/s1
InChIKeyNLOLZWNDRPFDBQ-LOACHALJSA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds3

About 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole

1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole (PubChem CID 104874886) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
PubChem CID104874886
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
SMILESCO[C@H]1CNCC1n1cncc1-c1cccc(C)c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-5-12(6-11)13-7-17-10-18(13)14-8-16-9-15(14)19-2/h3-7,10,14-16H,8-9H2,1-2H3/t14?,15-/m0/s1
InChIKeyNLOLZWNDRPFDBQ-LOACHALJSA-N
XLogP2.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole
CID 104874875
3-[3-(3-methylphenyl)phenoxy]azetidine
CID 46204424
4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
CID 84739493
5-(3-methylphenyl)-1-pyrrolidin-3-yltriazole
CID 115036803
(3R,4R)-3-methoxy-4-(3-methylphenyl)piperidine;hydrochloride
CID 21309134
1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole
CID 84791613
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
2-[(4S)-4-methoxypyrrolidin-3-yl]isoindole-1,3-dione
CID 61350385
3-(3-methylphenoxy)pyrrolidine
CID 18337170
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 82471002
2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
CID 114695777

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole (CID 104874886) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole is CO[C@H]1CNCC1n1cncc1-c1cccc(C)c1.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole?
The InChIKey is NLOLZWNDRPFDBQ-LOACHALJSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-3-5-12(6-11)13-7-17-10-18(13)14-8-16-9-15(14)19-2/h3-7,10,14-16H,8-9H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole?
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole has a molecular weight of 257.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole is sourced from PubChem (CID 104874886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).