N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C20H18ClN3O3 — CID 57404337

IUPACN-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18ClN3O3/c1-12-9-24(11-22-12)17-5-3-13(7-19(17)26-2)20(25)23-16-10-27-18-6-4-14(21)8-15(16)18/h3-9,11,16H,10H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyNACOKEPGPVIORY-INIZCTEOSA-N
MW383.84 g/mol
LogP3.71
Rot. Bonds4

About N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 57404337) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID57404337
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H18ClN3O3/c1-12-9-24(11-22-12)17-5-3-13(7-19(17)26-2)20(25)23-16-10-27-18-6-4-14(21)8-15(16)18/h3-9,11,16H,10H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyNACOKEPGPVIORY-INIZCTEOSA-N
XLogP3.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 57404337) is N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is NACOKEPGPVIORY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-12-9-24(11-22-12)17-5-3-13(7-19(17)26-2)20(25)23-16-10-27-18-6-4-14(21)8-15(16)18/h3-9,11,16H,10H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 383.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 57404337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).