3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide

C27H26BrN3O2 — CID 23365337

IUPAC3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide
SMILESCCCC(c1ccc(C(=O)Nc2ccccc2)cc1OCc1ccc(Br)cc1)n1ccnc1
InChIInChI=1S/C27H26BrN3O2/c1-2-6-25(31-16-15-29-19-31)24-14-11-21(27(32)30-23-7-4-3-5-8-23)17-26(24)33-18-20-9-12-22(28)13-10-20/h3-5,7-17,19,25H,2,6,18H2,1H3,(H,30,32)
InChIKeyPBBZLCQNAYKOBC-UHFFFAOYSA-N
MW504.43 g/mol
LogP6.87
Rot. Bonds9

About 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide

3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide (PubChem CID 23365337) has the molecular formula C27H26BrN3O2 and a molecular weight of 504.43 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide
PubChem CID23365337
Molecular FormulaC27H26BrN3O2
Molecular Weight504.43 g/mol
Exact Mass503.12
IUPAC Name3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide
SMILESCCCC(c1ccc(C(=O)Nc2ccccc2)cc1OCc1ccc(Br)cc1)n1ccnc1
InChIInChI=1S/C27H26BrN3O2/c1-2-6-25(31-16-15-29-19-31)24-14-11-21(27(32)30-23-7-4-3-5-8-23)17-26(24)33-18-20-9-12-22(28)13-10-20/h3-5,7-17,19,25H,2,6,18H2,1H3,(H,30,32)
InChIKeyPBBZLCQNAYKOBC-UHFFFAOYSA-N
XLogP6.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.43
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)-N-phenylbenzamide
CID 23365363
3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzoic acid
CID 23365307
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404736
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
3-[(4-bromophenyl)methyl]-4-oxo-N-(4-phenylmethoxyphenyl)quinazoline-7-carboxamide
CID 139779531
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-ethoxy-3-methyl-N-(4-phenylmethoxyphenyl)benzamide
CID 30147613
5-bromo-N-(4-phenylmethoxyphenyl)-2-propoxybenzamide
CID 17351533
N-[4-(benzimidazol-1-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55575206

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide (CID 23365337) is 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide is CCCC(c1ccc(C(=O)Nc2ccccc2)cc1OCc1ccc(Br)cc1)n1ccnc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide?
The InChIKey is PBBZLCQNAYKOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O2/c1-2-6-25(31-16-15-29-19-31)24-14-11-21(27(32)30-23-7-4-3-5-8-23)17-26(24)33-18-20-9-12-22(28)13-10-20/h3-5,7-17,19,25H,2,6,18H2,1H3,(H,30,32).
What are the key properties of 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide?
3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide has a molecular weight of 504.43 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)-N-phenylbenzamide is sourced from PubChem (CID 23365337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).