N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

C21H19N3O3 — CID 55483885

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCn1c(CNC(=O)c2occc2COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H19N3O3/c1-24-18-10-6-5-9-17(18)23-19(24)13-22-21(25)20-15(11-12-26-20)14-27-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,22,25)
InChIKeyLTDXMTZOIAUGDQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.68
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 55483885) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID55483885
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCn1c(CNC(=O)c2occc2COc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H19N3O3/c1-24-18-10-6-5-9-17(18)23-19(24)13-22-21(25)20-15(11-12-26-20)14-27-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,22,25)
InChIKeyLTDXMTZOIAUGDQ-UHFFFAOYSA-N
XLogP3.68
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46529748
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 55483885) is N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is Cn1c(CNC(=O)c2occc2COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is LTDXMTZOIAUGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24-18-10-6-5-9-17(18)23-19(24)13-22-21(25)20-15(11-12-26-20)14-27-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,22,25).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 55483885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).