(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone

C23H28N4O — CID 19377702

IUPAC(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone
SMILESCn1cccc1CCn1ccnc1C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-25-13-5-8-21(25)11-16-27-17-12-24-23(27)22(28)20-9-14-26(15-10-20)18-19-6-3-2-4-7-19/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3
InChIKeyMYCDKCAISXVEGH-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.56
Rot. Bonds7

About (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone

(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone (PubChem CID 19377702) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone
PubChem CID19377702
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone
SMILESCn1cccc1CCn1ccnc1C(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-25-13-5-8-21(25)11-16-27-17-12-24-23(27)22(28)20-9-14-26(15-10-20)18-19-6-3-2-4-7-19/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3
InChIKeyMYCDKCAISXVEGH-UHFFFAOYSA-N
XLogP3.56
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
1-[(1-methylpyrrol-2-yl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 126467816
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
ethyl 4-[1-[(2-benzylphenyl)methyl]imidazole-2-carbonyl]piperidine-1-carboxylate
CID 53426451
ethyl 1-methylpiperidine-4-carboxylate;(1-methylpiperidin-4-yl)-[1-(2-phenylethyl)imidazol-2-yl]methanone;1-(2-phenylethyl)imidazole;hydrochloride
CID 169427304
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1-methylimidazol-2-yl)methanone
CID 171937465
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
[1-[2-(4-methylphenyl)ethyl]imidazol-2-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 19371488
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[(1-benzylimidazol-2-yl)methyl]piperidin-4-ol
CID 110887635

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone?
The IUPAC name of (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone (CID 19377702) is (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone?
The canonical SMILES for (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone is Cn1cccc1CCn1ccnc1C(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone?
The InChIKey is MYCDKCAISXVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-25-13-5-8-21(25)11-16-27-17-12-24-23(27)22(28)20-9-14-26(15-10-20)18-19-6-3-2-4-7-19/h2-8,12-13,17,20H,9-11,14-16,18H2,1H3.
What are the key properties of (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone?
(1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-[1-[2-(1-methylpyrrol-2-yl)ethyl]imidazol-2-yl]methanone is sourced from PubChem (CID 19377702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).