N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide

C19H16ClN5O2 — CID 167943659

IUPACN-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(-c4cccc(Cl)c4)[nH]n3)ccc21
InChIInChI=1S/C19H16ClN5O2/c1-2-25-16-7-6-12(9-15(16)21-19(25)27)18(26)22-17-10-14(23-24-17)11-4-3-5-13(20)8-11/h3-10H,2H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyALZMYIGIGFMYKX-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.65
Rot. Bonds4

About N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide

N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 167943659) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID167943659
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)Nc3cc(-c4cccc(Cl)c4)[nH]n3)ccc21
InChIInChI=1S/C19H16ClN5O2/c1-2-25-16-7-6-12(9-15(16)21-19(25)27)18(26)22-17-10-14(23-24-17)11-4-3-5-13(20)8-11/h3-10H,2H2,1H3,(H,21,27)(H2,22,23,24,26)
InChIKeyALZMYIGIGFMYKX-UHFFFAOYSA-N
XLogP3.65
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 167943659) is N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)Nc3cc(-c4cccc(Cl)c4)[nH]n3)ccc21.
What is the InChIKey of N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is ALZMYIGIGFMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-2-25-16-7-6-12(9-15(16)21-19(25)27)18(26)22-17-10-14(23-24-17)11-4-3-5-13(20)8-11/h3-10H,2H2,1H3,(H,21,27)(H2,22,23,24,26).
What are the key properties of N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167943659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).