2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide

C24H29BrFN3O2 — CID 18732618

IUPAC2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C24H29BrFN3O2/c1-4-6-7-13-28(24(30)19-15-18(31-3)9-10-20(19)25)16-23-27-21-14-17(26)8-11-22(21)29(23)12-5-2/h8-11,14-15H,4-7,12-13,16H2,1-3H3
InChIKeyASAHDVUXZZSUHK-UHFFFAOYSA-N
MW490.42 g/mol
LogP6.19
Rot. Bonds10

About 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide

2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide (PubChem CID 18732618) has the molecular formula C24H29BrFN3O2 and a molecular weight of 490.42 g/mol. Its IUPAC name is 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide
PubChem CID18732618
Molecular FormulaC24H29BrFN3O2
Molecular Weight490.42 g/mol
Exact Mass489.14
IUPAC Name2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C24H29BrFN3O2/c1-4-6-7-13-28(24(30)19-15-18(31-3)9-10-20(19)25)16-23-27-21-14-17(26)8-11-22(21)29(23)12-5-2/h8-11,14-15H,4-7,12-13,16H2,1-3H3
InChIKeyASAHDVUXZZSUHK-UHFFFAOYSA-N
XLogP6.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.42
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18732565
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-[[5-[[ethyl(pentyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-2,5-difluoro-N-propylbenzamide
CID 18733670
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734004
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 18734225
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-[[5-[[butyl(methyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-propylbenzamide
CID 18733631
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide?
The IUPAC name of 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide (CID 18732618) is 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide.
What is the SMILES notation for 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide?
The canonical SMILES for 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide is CCCCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide?
The InChIKey is ASAHDVUXZZSUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrFN3O2/c1-4-6-7-13-28(24(30)19-15-18(31-3)9-10-20(19)25)16-23-27-21-14-17(26)8-11-22(21)29(23)12-5-2/h8-11,14-15H,4-7,12-13,16H2,1-3H3.
What are the key properties of 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide?
2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide has a molecular weight of 490.42 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide is sourced from PubChem (CID 18732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).