1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide

C19H15BrClN5O2 — CID 19274404

IUPAC1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)nc2ccccc21
InChIInChI=1S/C19H15BrClN5O2/c1-25-16-5-3-2-4-14(16)22-19(25)23-18(27)15-8-9-26(24-15)11-28-17-7-6-12(21)10-13(17)20/h2-10H,11H2,1H3,(H,22,23,27)
InChIKeySRMONUXNCSWDLH-UHFFFAOYSA-N
MW460.72 g/mol
LogP4.47
Rot. Bonds5

About 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide

1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide (PubChem CID 19274404) has the molecular formula C19H15BrClN5O2 and a molecular weight of 460.72 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
PubChem CID19274404
Molecular FormulaC19H15BrClN5O2
Molecular Weight460.72 g/mol
Exact Mass459.01
IUPAC Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)nc2ccccc21
InChIInChI=1S/C19H15BrClN5O2/c1-25-16-5-3-2-4-14(16)22-19(25)23-18(27)15-8-9-26(24-15)11-28-17-7-6-12(21)10-13(17)20/h2-10H,11H2,1H3,(H,22,23,27)
InChIKeySRMONUXNCSWDLH-UHFFFAOYSA-N
XLogP4.47
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.72
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chloro-4-fluorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19272608
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
CID 19274639
1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19274382
N-(1-methylbenzimidazol-2-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776387
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19274429
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 4865633
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 4777025
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 19274630
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19274625
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19274537
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274591

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide (CID 19274404) is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide is Cn1c(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)nc2ccccc21.
What is the InChIKey of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is SRMONUXNCSWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN5O2/c1-25-16-5-3-2-4-14(16)22-19(25)23-18(27)15-8-9-26(24-15)11-28-17-7-6-12(21)10-13(17)20/h2-10H,11H2,1H3,(H,22,23,27).
What are the key properties of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 460.72 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19274404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).