5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide

C29H36N4O3 — CID 19450746

IUPAC5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)nc2ccccc21
InChIInChI=1S/C29H36N4O3/c1-6-32(7-2)18-19-33-25-11-9-8-10-24(25)30-28(33)31-27(34)26-17-16-23(36-26)20-35-22-14-12-21(13-15-22)29(3,4)5/h8-17H,6-7,18-20H2,1-5H3,(H,30,31,34)
InChIKeyHIHDFRMSDXNXEL-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.10
Rot. Bonds10

About 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 19450746) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID19450746
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)nc2ccccc21
InChIInChI=1S/C29H36N4O3/c1-6-32(7-2)18-19-33-25-11-9-8-10-24(25)30-28(33)31-27(34)26-17-16-23(36-26)20-35-22-14-12-21(13-15-22)29(3,4)5/h8-17H,6-7,18-20H2,1-5H3,(H,30,31,34)
InChIKeyHIHDFRMSDXNXEL-UHFFFAOYSA-N
XLogP6.10
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 19452881
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
5-[(4-chloro-3-cyano-5-methylpyrazol-1-yl)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide
CID 118717690
2-[(4-chlorophenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyrazole-3-carboxamide
CID 19507320
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
5-[(2-methoxyphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19467514
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19452561
N-(1-methylbenzimidazol-2-yl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412863
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide (CID 19450746) is 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide is CCN(CC)CCn1c(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)nc2ccccc21.
What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is HIHDFRMSDXNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-6-32(7-2)18-19-33-25-11-9-8-10-24(25)30-28(33)31-27(34)26-17-16-23(36-26)20-35-22-14-12-21(13-15-22)29(3,4)5/h8-17H,6-7,18-20H2,1-5H3,(H,30,31,34).
What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenoxy)methyl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19450746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).