N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

C20H20FN3O3 — CID 91831716

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESO=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C20H20FN3O3/c21-15-4-5-16-17(9-15)24-19(23-16)11-26-12-20(25)22-10-13-3-6-18-14(8-13)2-1-7-27-18/h3-6,8-9H,1-2,7,10-12H2,(H,22,25)(H,23,24)
InChIKeyYCDRMIKRJRDKRD-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.86
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 91831716) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID91831716
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESO=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C20H20FN3O3/c21-15-4-5-16-17(9-15)24-19(23-16)11-26-12-20(25)22-10-13-3-6-18-14(8-13)2-1-7-27-18/h3-6,8-9H,1-2,7,10-12H2,(H,22,25)(H,23,24)
InChIKeyYCDRMIKRJRDKRD-UHFFFAOYSA-N
XLogP2.86
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide (CID 91831716) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide is O=C(COCc1nc2ccc(F)cc2[nH]1)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is YCDRMIKRJRDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-4-5-16-17(9-15)24-19(23-16)11-26-12-20(25)22-10-13-3-6-18-14(8-13)2-1-7-27-18/h3-6,8-9H,1-2,7,10-12H2,(H,22,25)(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 91831716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).