N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C26H30N6O — CID 24818949

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1
InChIInChI=1S/C26H30N6O/c1-3-32-17-21(18(2)30-32)16-31-14-6-7-20(15-31)26(33)27-22-12-10-19(11-13-22)25-28-23-8-4-5-9-24(23)29-25/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,27,33)(H,28,29)
InChIKeyFIHSTCWFBDOULE-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.61
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24818949) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24818949
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1
InChIInChI=1S/C26H30N6O/c1-3-32-17-21(18(2)30-32)16-31-14-6-7-20(15-31)26(33)27-22-12-10-19(11-13-22)25-28-23-8-4-5-9-24(23)29-25/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,27,33)(H,28,29)
InChIKeyFIHSTCWFBDOULE-UHFFFAOYSA-N
XLogP4.61
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24818949) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)c(C)n1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is FIHSTCWFBDOULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-3-32-17-21(18(2)30-32)16-31-14-6-7-20(15-31)26(33)27-22-12-10-19(11-13-22)25-28-23-8-4-5-9-24(23)29-25/h4-5,8-13,17,20H,3,6-7,14-16H2,1-2H3,(H,27,33)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24818949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).