N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide

C19H17N3O2 — CID 60550590

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCc3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C19H17N3O2/c1-12-6-7-16-13(10-12)11-17(24-16)19(23)20-9-8-18-21-14-4-2-3-5-15(14)22-18/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCAEMUACXHFZRSK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.59
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 60550590) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID60550590
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCc3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C19H17N3O2/c1-12-6-7-16-13(10-12)11-17(24-16)19(23)20-9-8-18-21-14-4-2-3-5-15(14)22-18/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCAEMUACXHFZRSK-UHFFFAOYSA-N
XLogP3.59
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550032
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
CID 171676060
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide (CID 60550590) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCc3nc4ccccc4[nH]3)cc2c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CAEMUACXHFZRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-6-7-16-13(10-12)11-17(24-16)19(23)20-9-8-18-21-14-4-2-3-5-15(14)22-18/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60550590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).