N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

C16H17N3O3 — CID 92582412

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C16H17N3O3/c1-10(15-18-12-5-3-4-6-13(12)19-15)17-16(20)14-8-7-11(22-14)9-21-2/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyYMIIADSXFHQUJY-JTQLQIEISA-N
MW299.33 g/mol
LogP2.79
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 92582412) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID92582412
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C16H17N3O3/c1-10(15-18-12-5-3-4-6-13(12)19-15)17-16(20)14-8-7-11(22-14)9-21-2/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChIKeyYMIIADSXFHQUJY-JTQLQIEISA-N
XLogP2.79
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.79
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-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 47012134
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-nitrofuran-2-carboxamide
CID 92519664
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
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4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (CID 92582412) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is YMIIADSXFHQUJY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(15-18-12-5-3-4-6-13(12)19-15)17-16(20)14-8-7-11(22-14)9-21-2/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 92582412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).