(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide

C22H18Cl2FN3O2 — CID 97037081

IUPAC(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H18Cl2FN3O2/c1-13(22(29)26-12-16-3-2-8-30-16)28-20-11-18(24)17(23)10-19(20)27-21(28)9-14-4-6-15(25)7-5-14/h2-8,10-11,13H,9,12H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeySPLJQAYHSYNTQM-CYBMUJFWSA-N
MW446.31 g/mol
LogP5.54
Rot. Bonds6

About (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide

(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 97037081) has the molecular formula C22H18Cl2FN3O2 and a molecular weight of 446.31 g/mol. Its IUPAC name is (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID97037081
Molecular FormulaC22H18Cl2FN3O2
Molecular Weight446.31 g/mol
Exact Mass445.08
IUPAC Name(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C22H18Cl2FN3O2/c1-13(22(29)26-12-16-3-2-8-30-16)28-20-11-18(24)17(23)10-19(20)27-21(28)9-14-4-6-15(25)7-5-14/h2-8,10-11,13H,9,12H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeySPLJQAYHSYNTQM-CYBMUJFWSA-N
XLogP5.54
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.31
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-one
CID 83279397
2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 83279576
(2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 97037472
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 83278616
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 114581661
(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 98229906
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2R)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 93301621
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide (CID 97037081) is (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide is C[C@H](C(=O)NCc1ccco1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SPLJQAYHSYNTQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18Cl2FN3O2/c1-13(22(29)26-12-16-3-2-8-30-16)28-20-11-18(24)17(23)10-19(20)27-21(28)9-14-4-6-15(25)7-5-14/h2-8,10-11,13H,9,12H2,1H3,(H,26,29)/t13-/m1/s1.
What are the key properties of (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide?
(2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 446.31 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5,6-dichloro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 97037081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).