4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide

C22H21N3O2 — CID 25329425

IUPAC4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H21N3O2/c1-16(8-13-19-5-4-14-27-19)24-22(26)17-9-11-18(12-10-17)25-15-23-20-6-2-3-7-21(20)25/h2-7,9-12,14-16H,8,13H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyUGLBOYWKUUUPHA-INIZCTEOSA-N
MW359.43 g/mol
LogP4.37
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide

4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 25329425) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID25329425
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C22H21N3O2/c1-16(8-13-19-5-4-14-27-19)24-22(26)17-9-11-18(12-10-17)25-15-23-20-6-2-3-7-21(20)25/h2-7,9-12,14-16H,8,13H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyUGLBOYWKUUUPHA-INIZCTEOSA-N
XLogP4.37
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
N-[4-(benzimidazol-1-yl)phenyl]-3-(furan-2-yl)propanamide
CID 18140016
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 55606806
4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
CID 110880427
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-(2-amino-1-cyclopropylethyl)-4-(benzimidazol-1-yl)benzamide
CID 119613835

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide (CID 25329425) is 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide is C[C@@H](CCc1ccco1)NC(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is UGLBOYWKUUUPHA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(8-13-19-5-4-14-27-19)24-22(26)17-9-11-18(12-10-17)25-15-23-20-6-2-3-7-21(20)25/h2-7,9-12,14-16H,8,13H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 25329425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).