N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide

C24H26N6O — CID 24816621

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)n[nH]1
InChIInChI=1S/C24H26N6O/c1-16-13-20(29-28-16)15-30-12-4-5-18(14-30)24(31)25-19-10-8-17(9-11-19)23-26-21-6-2-3-7-22(21)27-23/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3,(H,25,31)(H,26,27)(H,28,29)
InChIKeyIQFVZEAIOKMHBE-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.11
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 24816621) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID24816621
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)n[nH]1
InChIInChI=1S/C24H26N6O/c1-16-13-20(29-28-16)15-30-12-4-5-18(14-30)24(31)25-19-10-8-17(9-11-19)23-26-21-6-2-3-7-22(21)27-23/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3,(H,25,31)(H,26,27)(H,28,29)
InChIKeyIQFVZEAIOKMHBE-UHFFFAOYSA-N
XLogP4.11
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 24816621) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide is Cc1cc(CN2CCCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)C2)n[nH]1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is IQFVZEAIOKMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-13-20(29-28-16)15-30-12-4-5-18(14-30)24(31)25-19-10-8-17(9-11-19)23-26-21-6-2-3-7-22(21)27-23/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3,(H,25,31)(H,26,27)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24816621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).