N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide

C15H17BrN4O — CID 95294595

IUPACN-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnc[nH]1
InChIInChI=1S/C15H17BrN4O/c16-12-1-3-13(4-2-12)20-6-5-11(9-20)7-18-15(21)14-8-17-10-19-14/h1-4,8,10-11H,5-7,9H2,(H,17,19)(H,18,21)/t11-/m1/s1
InChIKeyTUNRAIJOEMRKJG-LLVKDONJSA-N
MW349.23 g/mol
LogP2.43
Rot. Bonds4

About N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide

N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 95294595) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID95294595
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnc[nH]1
InChIInChI=1S/C15H17BrN4O/c16-12-1-3-13(4-2-12)20-6-5-11(9-20)7-18-15(21)14-8-17-10-19-14/h1-4,8,10-11H,5-7,9H2,(H,17,19)(H,18,21)/t11-/m1/s1
InChIKeyTUNRAIJOEMRKJG-LLVKDONJSA-N
XLogP2.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
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(2R)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 119860635
N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860652
1-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860624
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 119860603
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
(2S)-2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119860636
3-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119860620
4-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94799655
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide (CID 95294595) is N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cnc[nH]1.
What is the InChIKey of N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is TUNRAIJOEMRKJG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-12-1-3-13(4-2-12)20-6-5-11(9-20)7-18-15(21)14-8-17-10-19-14/h1-4,8,10-11H,5-7,9H2,(H,17,19)(H,18,21)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 95294595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).