N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C21H21N3O3 — CID 51238964

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCn1c(CNC(=O)c2oc3ccccc3c2COC)nc2ccccc21
InChIInChI=1S/C21H21N3O3/c1-3-24-17-10-6-5-9-16(17)23-19(24)12-22-21(25)20-15(13-26-2)14-8-4-7-11-18(14)27-20/h4-11H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyXNISNXNZWOSQEC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.88
Rot. Bonds6

About N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 51238964) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID51238964
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCn1c(CNC(=O)c2oc3ccccc3c2COC)nc2ccccc21
InChIInChI=1S/C21H21N3O3/c1-3-24-17-10-6-5-9-16(17)23-19(24)12-22-21(25)20-15(13-26-2)14-8-4-7-11-18(14)27-20/h4-11H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyXNISNXNZWOSQEC-UHFFFAOYSA-N
XLogP3.88
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71901762
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18274142
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2H-indazol-3-yl)acetamide
CID 49373016

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 51238964) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is CCn1c(CNC(=O)c2oc3ccccc3c2COC)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XNISNXNZWOSQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-24-17-10-6-5-9-16(17)23-19(24)12-22-21(25)20-15(13-26-2)14-8-4-7-11-18(14)27-20/h4-11H,3,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51238964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).