7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide

C18H15BrClF2N3O3 — CID 146458658

IUPAC7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(CCO)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21
InChIInChI=1S/C18H15BrClF2N3O3/c1-25-15(6-7-26)24-14-9-10(8-13(19)16(14)25)17(27)23-11-2-4-12(5-3-11)28-18(20,21)22/h2-5,8-9,26H,6-7H2,1H3,(H,23,27)
InChIKeySDXXTEWQRIFTHN-UHFFFAOYSA-N
MW474.69 g/mol
LogP4.29
Rot. Bonds6

About 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide (PubChem CID 146458658) has the molecular formula C18H15BrClF2N3O3 and a molecular weight of 474.69 g/mol. Its IUPAC name is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
PubChem CID146458658
Molecular FormulaC18H15BrClF2N3O3
Molecular Weight474.69 g/mol
Exact Mass473.00
IUPAC Name7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(CCO)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21
InChIInChI=1S/C18H15BrClF2N3O3/c1-25-15(6-7-26)24-14-9-10(8-13(19)16(14)25)17(27)23-11-2-4-12(5-3-11)28-18(20,21)22/h2-5,8-9,26H,6-7H2,1H3,(H,23,27)
InChIKeySDXXTEWQRIFTHN-UHFFFAOYSA-N
XLogP4.29
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.69
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methylsulfanylbenzimidazole-5-carboxamide
CID 146458715
N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
CID 146507867
2-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-6-methoxypyridine-4-carboxamide
CID 166563677
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoropyrrol-1-yl)pyridine-3-carboxamide
CID 156894881
5-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(2-methylsulfanylethyl)amino]pyridine-3-carboxamide
CID 145388853
N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
CID 146509065
3-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-hydroxypropanoylamino)-4-(propan-2-ylamino)benzamide
CID 146458731
methyl (4R)-8-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-6-carboxylate
CID 146458734
N-[4-[chloro(difluoro)methoxy]phenyl]-7-[(4-methoxyphenyl)methylamino]-1-propan-2-ylbenzimidazole-5-carboxamide
CID 146458670
N-[4-[chloro(difluoro)methoxy]phenyl]-5,6-dimethylpyridine-3-carboxamide
CID 145388893
6-chloro-N-[4-[chloro(difluoro)methoxy]phenyl]-5-ethylpyridine-3-carboxamide
CID 123668156
N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-thiophen-3-ylbenzimidazole-5-carboxamide
CID 158106004

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide (CID 146458658) is 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide is Cn1c(CCO)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.
What is the InChIKey of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is SDXXTEWQRIFTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClF2N3O3/c1-25-15(6-7-26)24-14-9-10(8-13(19)16(14)25)17(27)23-11-2-4-12(5-3-11)28-18(20,21)22/h2-5,8-9,26H,6-7H2,1H3,(H,23,27).
What are the key properties of 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide?
7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 474.69 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 146458658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).