(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine

C17H24BrN5 — CID 171101536

IUPAC(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)c1cc(N2CC[C@@H](N(C)C)C2)ccc1-n1cnc(Br)c1
InChIInChI=1S/C17H24BrN5/c1-20(2)14-7-8-22(10-14)13-5-6-15(16(9-13)21(3)4)23-11-17(18)19-12-23/h5-6,9,11-12,14H,7-8,10H2,1-4H3/t14-/m1/s1
InChIKeyCGKHQINWKTVLJI-CQSZACIVSA-N
MW378.32 g/mol
LogP2.84
Rot. Bonds4

About (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine

(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 171101536) has the molecular formula C17H24BrN5 and a molecular weight of 378.32 g/mol. Its IUPAC name is (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID171101536
Molecular FormulaC17H24BrN5
Molecular Weight378.32 g/mol
Exact Mass377.12
IUPAC Name(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)c1cc(N2CC[C@@H](N(C)C)C2)ccc1-n1cnc(Br)c1
InChIInChI=1S/C17H24BrN5/c1-20(2)14-7-8-22(10-14)13-5-6-15(16(9-13)21(3)4)23-11-17(18)19-12-23/h5-6,9,11-12,14H,7-8,10H2,1-4H3/t14-/m1/s1
InChIKeyCGKHQINWKTVLJI-CQSZACIVSA-N
XLogP2.84
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 171101377
5-[[1-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 171101713
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
1-(6-tert-butyl-3-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 134595807
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
4-bromo-1-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridin-2-one
CID 71154282
N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine
CID 171101333
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309665
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine (CID 171101536) is (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)c1cc(N2CC[C@@H](N(C)C)C2)ccc1-n1cnc(Br)c1.
What is the InChIKey of (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is CGKHQINWKTVLJI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24BrN5/c1-20(2)14-7-8-22(10-14)13-5-6-15(16(9-13)21(3)4)23-11-17(18)19-12-23/h5-6,9,11-12,14H,7-8,10H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 378.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(4-bromoimidazol-1-yl)-3-(dimethylamino)phenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 171101536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).