N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

C18H17BrN6O — CID 53171985

IUPACN-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C18H17BrN6O/c19-13-3-5-14(6-4-13)23-18(26)15-10-25(12-22-15)17-9-16(20-11-21-17)24-7-1-2-8-24/h3-6,9-12H,1-2,7-8H2,(H,23,26)
InChIKeyDDEWAPSAAPNSEJ-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.28
Rot. Bonds4

About N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide

N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (PubChem CID 53171985) has the molecular formula C18H17BrN6O and a molecular weight of 413.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
PubChem CID53171985
Molecular FormulaC18H17BrN6O
Molecular Weight413.28 g/mol
Exact Mass412.06
IUPAC NameN-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cn(-c2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C18H17BrN6O/c19-13-3-5-14(6-4-13)23-18(26)15-10-25(12-22-15)17-9-16(20-11-21-17)24-7-1-2-8-24/h3-6,9-12H,1-2,7-8H2,(H,23,26)
InChIKeyDDEWAPSAAPNSEJ-UHFFFAOYSA-N
XLogP3.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102212
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide (CID 53171985) is N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cn(-c2cc(N3CCCC3)ncn2)cn1.
What is the InChIKey of N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The InChIKey is DDEWAPSAAPNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN6O/c19-13-3-5-14(6-4-13)23-18(26)15-10-25(12-22-15)17-9-16(20-11-21-17)24-7-1-2-8-24/h3-6,9-12H,1-2,7-8H2,(H,23,26).
What are the key properties of N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide?
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide has a molecular weight of 413.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53171985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).