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

C20H24N4O3 — CID 17030166

IUPACN-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC(C)(C)C
InChIInChI=1S/C20H24N4O3/c1-13(21-19(26)16-10-7-11-27-16)18-22-14-8-5-6-9-15(14)24(18)12-17(25)23-20(2,3)4/h5-11,13H,12H2,1-4H3,(H,21,26)(H,23,25)
InChIKeyCLYDAOPPMIDHTK-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.04
Rot. Bonds5

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

N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 17030166) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID17030166
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC(C)(C)C
InChIInChI=1S/C20H24N4O3/c1-13(21-19(26)16-10-7-11-27-16)18-22-14-8-5-6-9-15(14)24(18)12-17(25)23-20(2,3)4/h5-11,13H,12H2,1-4H3,(H,21,26)(H,23,25)
InChIKeyCLYDAOPPMIDHTK-UHFFFAOYSA-N
XLogP3.04
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030171
N-[1-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030191
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[(1S)-1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26864483
N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100872
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 17030166) is N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc2ccccc2n1CC(=O)NC(C)(C)C.
What is the InChIKey of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is CLYDAOPPMIDHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(21-19(26)16-10-7-11-27-16)18-22-14-8-5-6-9-15(14)24(18)12-17(25)23-20(2,3)4/h5-11,13H,12H2,1-4H3,(H,21,26)(H,23,25).
What are the key properties of N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 17030166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).