1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole

C24H27N5O — CID 45271166

IUPAC1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole
SMILESCOc1ccc(Cn2c(N3CCC(n4cc(C)cn4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C24H27N5O/c1-18-15-25-29(16-18)20-11-13-27(14-12-20)24-26-22-5-3-4-6-23(22)28(24)17-19-7-9-21(30-2)10-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3
InChIKeyPUYPQZLPNDWKQC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.44
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole

1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole (PubChem CID 45271166) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole
PubChem CID45271166
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole
SMILESCOc1ccc(Cn2c(N3CCC(n4cc(C)cn4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C24H27N5O/c1-18-15-25-29(16-18)20-11-13-27(14-12-20)24-26-22-5-3-4-6-23(22)28(24)17-19-7-9-21(30-2)10-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3
InChIKeyPUYPQZLPNDWKQC-UHFFFAOYSA-N
XLogP4.44
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole (CID 45271166) is 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole is COc1ccc(Cn2c(N3CCC(n4cc(C)cn4)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole?
The InChIKey is PUYPQZLPNDWKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-18-15-25-29(16-18)20-11-13-27(14-12-20)24-26-22-5-3-4-6-23(22)28(24)17-19-7-9-21(30-2)10-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole?
1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole has a molecular weight of 401.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]benzimidazole is sourced from PubChem (CID 45271166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).