N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C22H20N4O3 — CID 17029304

IUPACN-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)NCc1ccco1
InChIInChI=1S/C22H20N4O3/c27-21(23-13-17-9-6-12-29-17)15-26-19-11-5-4-10-18(19)25-20(26)14-24-22(28)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,27)(H,24,28)
InChIKeyDHQFMNNJDBZDMA-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.88
Rot. Bonds7

About N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17029304) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17029304
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)NCc1ccco1
InChIInChI=1S/C22H20N4O3/c27-21(23-13-17-9-6-12-29-17)15-26-19-11-5-4-10-18(19)25-20(26)14-24-22(28)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,27)(H,24,28)
InChIKeyDHQFMNNJDBZDMA-UHFFFAOYSA-N
XLogP2.88
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 17029255
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
N-[1-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030171
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006753
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029315
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17032106
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 24624905

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17029304) is N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is O=C(Cn1c(CNC(=O)c2ccccc2)nc2ccccc21)NCc1ccco1.
What is the InChIKey of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is DHQFMNNJDBZDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21(23-13-17-9-6-12-29-17)15-26-19-11-5-4-10-18(19)25-20(26)14-24-22(28)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,23,27)(H,24,28).
What are the key properties of N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17029304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).