N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C26H32ClN3O3 — CID 11518427

IUPACN-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CO)Cc2ccc(-c3cnc(C(C)(C)C)[nH]3)cc2)cc1Cl
InChIInChI=1S/C26H32ClN3O3/c1-16(2)33-23-11-10-19(13-21(23)27)24(32)29-20(15-31)12-17-6-8-18(9-7-17)22-14-28-25(30-22)26(3,4)5/h6-11,13-14,16,20,31H,12,15H2,1-5H3,(H,28,30)(H,29,32)
InChIKeyVDQQIWQEQUVPFN-UHFFFAOYSA-N
MW470.01 g/mol
LogP5.15
Rot. Bonds8

About N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 11518427) has the molecular formula C26H32ClN3O3 and a molecular weight of 470.01 g/mol. Its IUPAC name is N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
PubChem CID11518427
Molecular FormulaC26H32ClN3O3
Molecular Weight470.01 g/mol
Exact Mass469.21
IUPAC NameN-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CO)Cc2ccc(-c3cnc(C(C)(C)C)[nH]3)cc2)cc1Cl
InChIInChI=1S/C26H32ClN3O3/c1-16(2)33-23-11-10-19(13-21(23)27)24(32)29-20(15-31)12-17-6-8-18(9-7-17)22-14-28-25(30-22)26(3,4)5/h6-11,13-14,16,20,31H,12,15H2,1-5H3,(H,28,30)(H,29,32)
InChIKeyVDQQIWQEQUVPFN-UHFFFAOYSA-N
XLogP5.15
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.01
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-acetamido-4-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]butyl] 3-cyano-4-propan-2-yloxybenzoate
CID 69490849
3-chloro-N-[(2S)-1-(4-ethylphenyl)-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 173146094
3-chloro-N-[1-[4-[2-(4-chlorophenyl)-2-oxoethyl]phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 163499493
N-[1-[4-(4-butyl-5-methyl-1H-imidazol-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 142759797
3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11699157
N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 67277848
N-[1-[4-[2-(1-aminoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 70973511
N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 56644715
methyl N-[1-[4-[4-[2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate
CID 68651856
N-[1-[4-(4-tert-butyl-5-methyl-1H-imidazol-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68651501
3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[1-(sulfonylamino)ethyl]imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 89090892
dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride
CID 158601095

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The IUPAC name of N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 11518427) is N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CO)Cc2ccc(-c3cnc(C(C)(C)C)[nH]3)cc2)cc1Cl.
What is the InChIKey of N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
The InChIKey is VDQQIWQEQUVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3/c1-16(2)33-23-11-10-19(13-21(23)27)24(32)29-20(15-31)12-17-6-8-18(9-7-17)22-14-28-25(30-22)26(3,4)5/h6-11,13-14,16,20,31H,12,15H2,1-5H3,(H,28,30)(H,29,32).
What are the key properties of N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?
N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 470.01 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-3-hydroxypropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 11518427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).