[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone

C26H28N4O2 — CID 3867068

IUPAC[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOc1ccc(Cn2ccnc2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1
InChIInChI=1S/C26H28N4O2/c1-28-23-6-4-3-5-21(23)17-24(28)26(31)29-14-11-20(12-15-29)25-27-13-16-30(25)18-19-7-9-22(32-2)10-8-19/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3
InChIKeyKNQRQHMFIYIEHY-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.45
Rot. Bonds5

About [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone

[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 3867068) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID3867068
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOc1ccc(Cn2ccnc2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1
InChIInChI=1S/C26H28N4O2/c1-28-23-6-4-3-5-21(23)17-24(28)26(31)29-14-11-20(12-15-29)25-27-13-16-30(25)18-19-7-9-22(32-2)10-8-19/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3
InChIKeyKNQRQHMFIYIEHY-UHFFFAOYSA-N
XLogP4.45
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 72915978
[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 141331069
[4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3677458
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 72900369
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
3-[2-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]-5-methoxy-2,3-dihydroinden-1-one
CID 3439174
3-(3-methylindol-1-yl)-1-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 3676591
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841956
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 72842076

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone (CID 3867068) is [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone is COc1ccc(Cn2ccnc2C2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1.
What is the InChIKey of [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is KNQRQHMFIYIEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-28-23-6-4-3-5-21(23)17-24(28)26(31)29-14-11-20(12-15-29)25-27-13-16-30(25)18-19-7-9-22(32-2)10-8-19/h3-10,13,16-17,20H,11-12,14-15,18H2,1-2H3.
What are the key properties of [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?
[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 428.54 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 3867068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).