N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide

C20H22BrN3O2 — CID 16994618

IUPACN-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESC=C(Br)Cn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-15(21)14-24-17-9-5-4-8-16(17)23-19(24)11-3-2-6-12-22-20(25)18-10-7-13-26-18/h4-5,7-10,13H,1-3,6,11-12,14H2,(H,22,25)
InChIKeyDTGWCCVRMTXARG-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.68
Rot. Bonds9

About N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide

N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide (PubChem CID 16994618) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
PubChem CID16994618
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC NameN-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
SMILESC=C(Br)Cn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O2/c1-15(21)14-24-17-9-5-4-8-16(17)23-19(24)11-3-2-6-12-22-20(25)18-10-7-13-26-18/h4-5,7-10,13H,1-3,6,11-12,14H2,(H,22,25)
InChIKeyDTGWCCVRMTXARG-UHFFFAOYSA-N
XLogP4.68
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
methyl 2-[2-[3-(furan-2-carbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16982030
N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994750
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994651
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 16982012
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990406
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 17031242
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994722
N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994673

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The IUPAC name of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide (CID 16994618) is N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide is C=C(Br)Cn1c(CCCCCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
The InChIKey is DTGWCCVRMTXARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-15(21)14-24-17-9-5-4-8-16(17)23-19(24)11-3-2-6-12-22-20(25)18-10-7-13-26-18/h4-5,7-10,13H,1-3,6,11-12,14H2,(H,22,25).
What are the key properties of N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide?
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide is sourced from PubChem (CID 16994618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).