N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride

C27H35BrClN5O3 — CID 44535248

IUPACN-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCCN1CCC(C(=O)NCC(C)(C)c2nc(-c3ccc(Br)c(O)c3)c(-c3ccncc3)[nH]2)CC1.Cl
InChIInChI=1S/C27H34BrN5O3.ClH/c1-27(2,17-30-25(35)19-8-12-33(13-9-19)14-15-36-3)26-31-23(18-6-10-29-11-7-18)24(32-26)20-4-5-21(28)22(34)16-20;/h4-7,10-11,16,19,34H,8-9,12-15,17H2,1-3H3,(H,30,35)(H,31,32);1H
InChIKeyPAOHAPPPNMZDKU-UHFFFAOYSA-N
MW592.97 g/mol
LogP4.78
Rot. Bonds9

About N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride

N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 44535248) has the molecular formula C27H35BrClN5O3 and a molecular weight of 592.97 g/mol. Its IUPAC name is N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID44535248
Molecular FormulaC27H35BrClN5O3
Molecular Weight592.97 g/mol
Exact Mass591.16
IUPAC NameN-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCCN1CCC(C(=O)NCC(C)(C)c2nc(-c3ccc(Br)c(O)c3)c(-c3ccncc3)[nH]2)CC1.Cl
InChIInChI=1S/C27H34BrN5O3.ClH/c1-27(2,17-30-25(35)19-8-12-33(13-9-19)14-15-36-3)26-31-23(18-6-10-29-11-7-18)24(32-26)20-4-5-21(28)22(34)16-20;/h4-7,10-11,16,19,34H,8-9,12-15,17H2,1-3H3,(H,30,35)(H,31,32);1H
InChIKeyPAOHAPPPNMZDKU-UHFFFAOYSA-N
XLogP4.78
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.97
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 44535692
2-chloro-5-[2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 44535397
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 44535696
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide
CID 44535710
N-[2-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-5-[(Z)-3-(propylideneamino)prop-2-enyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 142129347
[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 18440792
4-[2-[1-(2-methoxyethyl)piperidin-4-yl]-4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1H-imidazol-5-yl]pyridine
CID 91203188
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 87241865
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 72940470
1-[2-(4-methoxyphenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046333

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride (CID 44535248) is N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride is COCCN1CCC(C(=O)NCC(C)(C)c2nc(-c3ccc(Br)c(O)c3)c(-c3ccncc3)[nH]2)CC1.Cl.
What is the InChIKey of N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is PAOHAPPPNMZDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34BrN5O3.ClH/c1-27(2,17-30-25(35)19-8-12-33(13-9-19)14-15-36-3)26-31-23(18-6-10-29-11-7-18)24(32-26)20-4-5-21(28)22(34)16-20;/h4-7,10-11,16,19,34H,8-9,12-15,17H2,1-3H3,(H,30,35)(H,31,32);1H.
What are the key properties of N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 592.97 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 44535248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).