N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide

C24H25N3O3 — CID 47012134

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H25N3O3/c1-16(2)14-21(23-25-19-10-6-7-11-20(19)26-23)27-24(28)22-13-12-18(30-22)15-29-17-8-4-3-5-9-17/h3-13,16,21H,14-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyYILMNDUSBFJQAB-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.25
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 47012134) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID47012134
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H25N3O3/c1-16(2)14-21(23-25-19-10-6-7-11-20(19)26-23)27-24(28)22-13-12-18(30-22)15-29-17-8-4-3-5-9-17/h3-13,16,21H,14-15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyYILMNDUSBFJQAB-UHFFFAOYSA-N
XLogP5.25
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 4974256
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 92582412
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]pyridine-2-carboxamide
CID 41036697
2-(4-aminophenyl)-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]acetamide;dihydrochloride
CID 119836753
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112802220
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40939197
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4,5-dimethylthiophene-2-carboxamide
CID 112798359
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 77225957
2-methyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-indole-3-carbohydrazide
CID 26808263
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168554863

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 47012134) is N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide is CC(C)CC(NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is YILMNDUSBFJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(2)14-21(23-25-19-10-6-7-11-20(19)26-23)27-24(28)22-13-12-18(30-22)15-29-17-8-4-3-5-9-17/h3-13,16,21H,14-15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 47012134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).