N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide

C18H21N5O — CID 4004019

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12-11-16(21-17(24)13-7-3-2-4-8-13)23(22-12)18-19-14-9-5-6-10-15(14)20-18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)(H,21,24)
InChIKeyCTPFURWBGHTXHN-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.58
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 4004019) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide
PubChem CID4004019
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide
SMILESCc1cc(NC(=O)C2CCCCC2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12-11-16(21-17(24)13-7-3-2-4-8-13)23(22-12)18-19-14-9-5-6-10-15(14)20-18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)(H,21,24)
InChIKeyCTPFURWBGHTXHN-UHFFFAOYSA-N
XLogP3.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide (CID 4004019) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide is Cc1cc(NC(=O)C2CCCCC2)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is CTPFURWBGHTXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-11-16(21-17(24)13-7-3-2-4-8-13)23(22-12)18-19-14-9-5-6-10-15(14)20-18/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 4004019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).