N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide

C20H17N3O3 — CID 86912094

IUPACN-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)o1
InChIInChI=1S/C20H17N3O3/c1-25-12-16-10-11-19(26-16)20(24)22-14-6-8-15(9-7-14)23-13-21-17-4-2-3-5-18(17)23/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyNQYKRJPYFOHSQX-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.02
Rot. Bonds5

About N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 86912094) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID86912094
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)o1
InChIInChI=1S/C20H17N3O3/c1-25-12-16-10-11-19(26-16)20(24)22-14-6-8-15(9-7-14)23-13-21-17-4-2-3-5-18(17)23/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyNQYKRJPYFOHSQX-UHFFFAOYSA-N
XLogP4.02
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24512638
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 166340595
5-[(2-methoxyphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19467514
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide (CID 86912094) is N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)o1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is NQYKRJPYFOHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-12-16-10-11-19(26-16)20(24)22-14-6-8-15(9-7-14)23-13-21-17-4-2-3-5-18(17)23/h2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 86912094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).