N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide

C21H26N4O2 — CID 74246805

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
SMILESCC(c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)o1)N1CCCCC1
InChIInChI=1S/C21H26N4O2/c1-15(25-13-5-2-6-14-25)18-9-10-19(27-18)21(26)22-12-11-20-23-16-7-3-4-8-17(16)24-20/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyZHHVAVZBXGICKT-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.68
Rot. Bonds6

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide (PubChem CID 74246805) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
PubChem CID74246805
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide
SMILESCC(c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)o1)N1CCCCC1
InChIInChI=1S/C21H26N4O2/c1-15(25-13-5-2-6-14-25)18-9-10-19(27-18)21(26)22-12-11-20-23-16-7-3-4-8-17(16)24-20/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyZHHVAVZBXGICKT-UHFFFAOYSA-N
XLogP3.68
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-piperidin-1-ylethyl]-N-[2-(1H-pyrazol-5-yl)ethyl]furan-2-carboxamide
CID 125448711
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 25390328
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
5-(azepane-1-carbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(2R)-butan-2-yl]-4-oxopyridine-3-carboxamide
CID 42170570
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 75490365
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110741848
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 30251226
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide (CID 74246805) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide is CC(c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)o1)N1CCCCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is ZHHVAVZBXGICKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(25-13-5-2-6-14-25)18-9-10-19(27-18)21(26)22-12-11-20-23-16-7-3-4-8-17(16)24-20/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1-piperidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 74246805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).