N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C23H21ClN4O2S — CID 25350098

IUPACN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)c2)cs1
InChIInChI=1S/C23H21ClN4O2S/c1-15-26-19(14-31-15)13-30-20-5-3-4-17(12-20)23(29)27-21(22-25-10-11-28(22)2)16-6-8-18(24)9-7-16/h3-12,14,21H,13H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyDIZKCESUPKAYDV-OAQYLSRUSA-N
MW452.97 g/mol
LogP4.94
Rot. Bonds7

About N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 25350098) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID25350098
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC NameN-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)c2)cs1
InChIInChI=1S/C23H21ClN4O2S/c1-15-26-19(14-31-15)13-30-20-5-3-4-17(12-20)23(29)27-21(22-25-10-11-28(22)2)16-6-8-18(24)9-7-16/h3-12,14,21H,13H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyDIZKCESUPKAYDV-OAQYLSRUSA-N
XLogP4.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
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CID 25390282
N-[1-(3,4-difluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643860
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25351615
N-(5-chloro-2-pyridinyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34137278
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CID 60596892
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 25324293
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrrole-2-carboxamide
CID 42922934
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-diethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 25350098) is N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)c2)cs1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is DIZKCESUPKAYDV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c1-15-26-19(14-31-15)13-30-20-5-3-4-17(12-20)23(29)27-21(22-25-10-11-28(22)2)16-6-8-18(24)9-7-16/h3-12,14,21H,13H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 452.97 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 25350098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).