5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide

C19H15Cl2N5O2 — CID 35595678

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H15Cl2N5O2/c1-10-16(17(21)26(25-10)9-11-4-2-3-5-13(11)20)18(27)22-12-6-7-14-15(8-12)24-19(28)23-14/h2-8H,9H2,1H3,(H,22,27)(H2,23,24,28)
InChIKeyFJNMUQJNZLYWKO-UHFFFAOYSA-N
MW416.27 g/mol
LogP3.97
Rot. Bonds4

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide (PubChem CID 35595678) has the molecular formula C19H15Cl2N5O2 and a molecular weight of 416.27 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
PubChem CID35595678
Molecular FormulaC19H15Cl2N5O2
Molecular Weight416.27 g/mol
Exact Mass415.06
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C19H15Cl2N5O2/c1-10-16(17(21)26(25-10)9-11-4-2-3-5-13(11)20)18(27)22-12-6-7-14-15(8-12)24-19(28)23-14/h2-8H,9H2,1H3,(H,22,27)(H2,23,24,28)
InChIKeyFJNMUQJNZLYWKO-UHFFFAOYSA-N
XLogP3.97
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide (CID 35595678) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is FJNMUQJNZLYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2/c1-10-16(17(21)26(25-10)9-11-4-2-3-5-13(11)20)18(27)22-12-6-7-14-15(8-12)24-19(28)23-14/h2-8H,9H2,1H3,(H,22,27)(H2,23,24,28).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 416.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 35595678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).