N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide

C17H18FN5O — CID 154832241

IUPACN-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc2[nH]cnc2c1F
InChIInChI=1S/C17H18FN5O/c18-15-11(6-7-12-16(15)20-9-19-12)17(24)21-14-8-13(22-23-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)(H2,21,22,23,24)
InChIKeyCSYWKWBQKODPLA-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.73
Rot. Bonds3

About N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide

N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide (PubChem CID 154832241) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide
PubChem CID154832241
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc2[nH]cnc2c1F
InChIInChI=1S/C17H18FN5O/c18-15-11(6-7-12-16(15)20-9-19-12)17(24)21-14-8-13(22-23-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)(H2,21,22,23,24)
InChIKeyCSYWKWBQKODPLA-UHFFFAOYSA-N
XLogP3.73
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide (CID 154832241) is N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide is O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc2[nH]cnc2c1F.
What is the InChIKey of N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide?
The InChIKey is CSYWKWBQKODPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-15-11(6-7-12-16(15)20-9-19-12)17(24)21-14-8-13(22-23-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,20)(H2,21,22,23,24).
What are the key properties of N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide?
N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1H-pyrazol-3-yl)-4-fluoro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154832241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).