2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide

C19H18Cl2FN3O — CID 18732505

IUPAC2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
SMILESCCCn1c(CN(C)C(=O)c2cc(Cl)ccc2Cl)nc2c(F)cccc21
InChIInChI=1S/C19H18Cl2FN3O/c1-3-9-25-16-6-4-5-15(22)18(16)23-17(25)11-24(2)19(26)13-10-12(20)7-8-14(13)21/h4-8,10H,3,9,11H2,1-2H3
InChIKeyJXZUAFYAZHVHRO-UHFFFAOYSA-N
MW394.28 g/mol
LogP5.16
Rot. Bonds5

About 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide

2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide (PubChem CID 18732505) has the molecular formula C19H18Cl2FN3O and a molecular weight of 394.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
PubChem CID18732505
Molecular FormulaC19H18Cl2FN3O
Molecular Weight394.28 g/mol
Exact Mass393.08
IUPAC Name2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
SMILESCCCn1c(CN(C)C(=O)c2cc(Cl)ccc2Cl)nc2c(F)cccc21
InChIInChI=1S/C19H18Cl2FN3O/c1-3-9-25-16-6-4-5-15(22)18(16)23-17(25)11-24(2)19(26)13-10-12(20)7-8-14(13)21/h4-8,10H,3,9,11H2,1-2H3
InChIKeyJXZUAFYAZHVHRO-UHFFFAOYSA-N
XLogP5.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740
3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide
CID 18732933
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
CID 18733942
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 18733560
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide (CID 18732505) is 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide is CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2Cl)nc2c(F)cccc21.
What is the InChIKey of 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide?
The InChIKey is JXZUAFYAZHVHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O/c1-3-9-25-16-6-4-5-15(22)18(16)23-17(25)11-24(2)19(26)13-10-12(20)7-8-14(13)21/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide?
2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide has a molecular weight of 394.28 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18732505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).