[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone

C19H21N5O — CID 167920387

IUPAC[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)cn1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(18-13-24(15-21-18)17-4-2-1-3-5-17)23-9-6-16(7-10-23)12-22-11-8-20-14-22/h1-5,8,11,13-16H,6-7,9-10,12H2
InChIKeyXMDGWKQTCYYMFD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.62
Rot. Bonds4

About [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone

[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone (PubChem CID 167920387) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
PubChem CID167920387
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)cn1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C19H21N5O/c25-19(18-13-24(15-21-18)17-4-2-1-3-5-17)23-9-6-16(7-10-23)12-22-11-8-20-14-22/h1-5,8,11,13-16H,6-7,9-10,12H2
InChIKeyXMDGWKQTCYYMFD-UHFFFAOYSA-N
XLogP2.62
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 90493177
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 91763764
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
[1-(4-fluorophenyl)imidazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 100816402
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527
(E)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 90493176
3-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1,6-dimethylquinolin-4-one
CID 91781708

Frequently Asked Questions

What is the IUPAC name of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
The IUPAC name of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone (CID 167920387) is [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
The canonical SMILES for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone is O=C(c1cn(-c2ccccc2)cn1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
The InChIKey is XMDGWKQTCYYMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(18-13-24(15-21-18)17-4-2-1-3-5-17)23-9-6-16(7-10-23)12-22-11-8-20-14-22/h1-5,8,11,13-16H,6-7,9-10,12H2.
What are the key properties of [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 167920387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).