(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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Related Compounds

(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
CID 53037791
(2-bromophenyl)-[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4537201
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
CID 122608659
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
(2-bromophenyl)-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 9192921
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344318
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
1-(2-bromophenyl)-2-piperidin-1-ylethane-1,2-dione
CID 101445164

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).