5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide

C20H15Cl2N3O2 — CID 47010120

IUPAC5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
SMILESCn1c(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21
InChIInChI=1S/C20H15Cl2N3O2/c1-25-15-8-3-2-7-14(15)24-18(25)11-23-20(26)17-10-9-16(27-17)12-5-4-6-13(21)19(12)22/h2-10H,11H2,1H3,(H,23,26)
InChIKeyUIGXNZFFBDAIOG-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.07
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 47010120) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
PubChem CID47010120
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide
SMILESCn1c(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21
InChIInChI=1S/C20H15Cl2N3O2/c1-25-15-8-3-2-7-14(15)24-18(25)11-23-20(26)17-10-9-16(27-17)12-5-4-6-13(21)19(12)22/h2-10H,11H2,1H3,(H,23,26)
InChIKeyUIGXNZFFBDAIOG-UHFFFAOYSA-N
XLogP5.07
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17110627
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
3-(2,6-dichlorophenyl)-5-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 55572437
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17335206
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
CID 134022967
methyl 5-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 134050321
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide (CID 47010120) is 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide is Cn1c(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is UIGXNZFFBDAIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-25-15-8-3-2-7-14(15)24-18(25)11-23-20(26)17-10-9-16(27-17)12-5-4-6-13(21)19(12)22/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 47010120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).