N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H12ClN5O2 — CID 86868766

IUPACN-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2cc(-c3ccco3)[nH]n2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H12ClN5O2/c1-22-13-5-4-9(17)7-10(13)18-16(22)19-15(23)12-8-11(20-21-12)14-3-2-6-24-14/h2-8H,1H3,(H,20,21)(H,18,19,23)
InChIKeyWOELJQAXVZXZCD-UHFFFAOYSA-N
MW341.76 g/mol
LogP3.46
Rot. Bonds3

About N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 86868766) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID86868766
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC NameN-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2cc(-c3ccco3)[nH]n2)nc2cc(Cl)ccc21
InChIInChI=1S/C16H12ClN5O2/c1-22-13-5-4-9(17)7-10(13)18-16(22)19-15(23)12-8-11(20-21-12)14-3-2-6-24-14/h2-8H,1H3,(H,20,21)(H,18,19,23)
InChIKeyWOELJQAXVZXZCD-UHFFFAOYSA-N
XLogP3.46
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 86868766) is N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is Cn1c(NC(=O)c2cc(-c3ccco3)[nH]n2)nc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WOELJQAXVZXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2/c1-22-13-5-4-9(17)7-10(13)18-16(22)19-15(23)12-8-11(20-21-12)14-3-2-6-24-14/h2-8H,1H3,(H,20,21)(H,18,19,23).
What are the key properties of N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86868766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).