N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide

C22H25Cl2N3O2 — CID 18734468

IUPACN-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C22H25Cl2N3O2/c1-3-5-11-26(22(29)17-12-15(23)7-9-20(17)28)14-21-25-18-8-6-16(24)13-19(18)27(21)10-4-2/h6-9,12-13,28H,3-5,10-11,14H2,1-2H3
InChIKeyFINYYFFCMWRZIX-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.90
Rot. Bonds8

About N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide

N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide (PubChem CID 18734468) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
PubChem CID18734468
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C22H25Cl2N3O2/c1-3-5-11-26(22(29)17-12-15(23)7-9-20(17)28)14-21-25-18-8-6-16(24)13-19(18)27(21)10-4-2/h6-9,12-13,28H,3-5,10-11,14H2,1-2H3
InChIKeyFINYYFFCMWRZIX-UHFFFAOYSA-N
XLogP5.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide (CID 18734468) is N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide is CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide?
The InChIKey is FINYYFFCMWRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-3-5-11-26(22(29)17-12-15(23)7-9-20(17)28)14-21-25-18-8-6-16(24)13-19(18)27(21)10-4-2/h6-9,12-13,28H,3-5,10-11,14H2,1-2H3.
What are the key properties of N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide?
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide has a molecular weight of 434.37 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 18734468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).