(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone

C27H31N5O2 — CID 42275986

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C27H31N5O2/c1-19-18-24(30(2)29-19)27(33)31-16-14-21(15-17-31)32-23-10-6-5-9-22(23)28-26(32)13-12-20-8-4-7-11-25(20)34-3/h4-11,18,21H,12-17H2,1-3H3
InChIKeyQMUIYKZQXXODNT-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.35
Rot. Bonds6

About (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 42275986) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID42275986
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C27H31N5O2/c1-19-18-24(30(2)29-19)27(33)31-16-14-21(15-17-31)32-23-10-6-5-9-22(23)28-26(32)13-12-20-8-4-7-11-25(20)34-3/h4-11,18,21H,12-17H2,1-3H3
InChIKeyQMUIYKZQXXODNT-UHFFFAOYSA-N
XLogP4.35
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone (CID 42275986) is (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone is COc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(C)nn2C)CC1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is QMUIYKZQXXODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-19-18-24(30(2)29-19)27(33)31-16-14-21(15-17-31)32-23-10-6-5-9-22(23)28-26(32)13-12-20-8-4-7-11-25(20)34-3/h4-11,18,21H,12-17H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 457.58 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42275986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).