(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide

C15H17BrN4O2 — CID 124703477

IUPAC(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C15H17BrN4O2/c16-11-3-1-10(2-4-11)9-20-6-5-17-15(20)19-14(22)13-7-12(21)8-18-13/h1-6,12-13,18,21H,7-9H2,(H,17,19,22)/t12-,13+/m0/s1
InChIKeyVNELKEXATSSJBT-QWHCGFSZSA-N
MW365.23 g/mol
LogP1.36
Rot. Bonds4

About (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124703477) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124703477
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C15H17BrN4O2/c16-11-3-1-10(2-4-11)9-20-6-5-17-15(20)19-14(22)13-7-12(21)8-18-13/h1-6,12-13,18,21H,7-9H2,(H,17,19,22)/t12-,13+/m0/s1
InChIKeyVNELKEXATSSJBT-QWHCGFSZSA-N
XLogP1.36
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide
CID 119821133
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119821143
(2R,4S)-4-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138990
4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119686453
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119868677
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119765390
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119866796
(2S,4R)-N-[(1R)-1-(4-bromophenyl)-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 176976924

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 124703477) is (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@H]1C[C@H](O)CN1.
What is the InChIKey of (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is VNELKEXATSSJBT-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c16-11-3-1-10(2-4-11)9-20-6-5-17-15(20)19-14(22)13-7-12(21)8-18-13/h1-6,12-13,18,21H,7-9H2,(H,17,19,22)/t12-,13+/m0/s1.
What are the key properties of (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124703477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).