(2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone

C14H16BrN3O — CID 53037792

IUPAC(2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN=C1N1CCCC1
InChIInChI=1S/C14H16BrN3O/c15-12-6-2-1-5-11(12)13(19)18-10-7-16-14(18)17-8-3-4-9-17/h1-2,5-6H,3-4,7-10H2
InChIKeyYLQZUESJQNVXAJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.36
Rot. Bonds1

About (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone

(2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 53037792) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID53037792
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name(2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCN=C1N1CCCC1
InChIInChI=1S/C14H16BrN3O/c15-12-6-2-1-5-11(12)13(19)18-10-7-16-14(18)17-8-3-4-9-17/h1-2,5-6H,3-4,7-10H2
InChIKeyYLQZUESJQNVXAJ-UHFFFAOYSA-N
XLogP2.36
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone (CID 53037792) is (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone is O=C(c1ccccc1Br)N1CCN=C1N1CCCC1.
What is the InChIKey of (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is YLQZUESJQNVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-12-6-2-1-5-11(12)13(19)18-10-7-16-14(18)17-8-3-4-9-17/h1-2,5-6H,3-4,7-10H2.
What are the key properties of (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone?
(2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 322.21 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 53037792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).