3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide

C22H18Cl2FN3O2 — CID 83278616

IUPAC3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCc1ccco1
InChIInChI=1S/C22H18Cl2FN3O2/c23-16-11-19-20(12-17(16)24)28(8-7-22(29)26-13-15-5-3-9-30-15)21(27-19)10-14-4-1-2-6-18(14)25/h1-6,9,11-12H,7-8,10,13H2,(H,26,29)
InChIKeyLPYOEWCTLXMQHV-UHFFFAOYSA-N
MW446.31 g/mol
LogP5.37
Rot. Bonds7

About 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide

3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 83278616) has the molecular formula C22H18Cl2FN3O2 and a molecular weight of 446.31 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID83278616
Molecular FormulaC22H18Cl2FN3O2
Molecular Weight446.31 g/mol
Exact Mass445.08
IUPAC Name3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCc1ccco1
InChIInChI=1S/C22H18Cl2FN3O2/c23-16-11-19-20(12-17(16)24)28(8-7-22(29)26-13-15-5-3-9-30-15)21(27-19)10-14-4-1-2-6-18(14)25/h1-6,9,11-12H,7-8,10,13H2,(H,26,29)
InChIKeyLPYOEWCTLXMQHV-UHFFFAOYSA-N
XLogP5.37
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 97037081
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
3-[1-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 2134887
N-(furan-2-ylmethyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794769
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 83282235
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 83284817
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide (CID 83278616) is 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCc1ccco1.
What is the InChIKey of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is LPYOEWCTLXMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN3O2/c23-16-11-19-20(12-17(16)24)28(8-7-22(29)26-13-15-5-3-9-30-15)21(27-19)10-14-4-1-2-6-18(14)25/h1-6,9,11-12H,7-8,10,13H2,(H,26,29).
What are the key properties of 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 446.31 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 83278616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).