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

C23H23N3O3 — CID 4974256

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H23N3O3/c1-15(2)21(22-24-18-10-6-7-11-19(18)25-22)26-23(27)20-13-12-17(29-20)14-28-16-8-4-3-5-9-16/h3-13,15,21H,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyXDTMXEKZSKGJPA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.86
Rot. Bonds7

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

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 4974256) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID4974256
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H23N3O3/c1-15(2)21(22-24-18-10-6-7-11-19(18)25-22)26-23(27)20-13-12-17(29-20)14-28-16-8-4-3-5-9-16/h3-13,15,21H,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyXDTMXEKZSKGJPA-UHFFFAOYSA-N
XLogP4.86
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 47012134
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 92582412
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-benzoylphenoxy)acetamide
CID 4780870
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550032
2-(4-anilinophenoxy)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 40716491
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(4-fluorophenoxy)propanamide
CID 55595818

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 4974256) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide is CC(C)C(NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is XDTMXEKZSKGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)21(22-24-18-10-6-7-11-19(18)25-22)26-23(27)20-13-12-17(29-20)14-28-16-8-4-3-5-9-16/h3-13,15,21H,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.86, 7 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)-2-methylpropyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 4974256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).