N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C22H26N4O3 — CID 17030610

IUPACN-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESO=C(Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)NC1CCCCC1
InChIInChI=1S/C22H26N4O3/c27-21(24-16-7-2-1-3-8-16)15-26-18-10-5-4-9-17(18)25-20(26)12-13-23-22(28)19-11-6-14-29-19/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,23,28)(H,24,27)
InChIKeySSXCORHVRMBXJM-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.05
Rot. Bonds7

About N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 17030610) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID17030610
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESO=C(Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)NC1CCCCC1
InChIInChI=1S/C22H26N4O3/c27-21(24-16-7-2-1-3-8-16)15-26-18-10-5-4-9-17(18)25-20(26)12-13-23-22(28)19-11-6-14-29-19/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,23,28)(H,24,27)
InChIKeySSXCORHVRMBXJM-UHFFFAOYSA-N
XLogP3.05
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031242
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17030705
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982026
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[2-[1-[2-(3-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030625
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975540
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994618
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 17030610) is N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is O=C(Cn1c(CCNC(=O)c2ccco2)nc2ccccc21)NC1CCCCC1.
What is the InChIKey of N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is SSXCORHVRMBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(24-16-7-2-1-3-8-16)15-26-18-10-5-4-9-17(18)25-20(26)12-13-23-22(28)19-11-6-14-29-19/h4-6,9-11,14,16H,1-3,7-8,12-13,15H2,(H,23,28)(H,24,27).
What are the key properties of N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 17030610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).