[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C18H25N5O — CID 71990960

IUPAC[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1
InChIInChI=1S/C18H25N5O/c1-20(2)14-15-4-6-16(7-5-15)17(24)22-10-12-23(13-11-22)18-19-8-9-21(18)3/h4-9H,10-14H2,1-3H3
InChIKeyJRCIQTMSLNJYLL-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.44
Rot. Bonds4

About [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 71990960) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID71990960
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1
InChIInChI=1S/C18H25N5O/c1-20(2)14-15-4-6-16(7-5-15)17(24)22-10-12-23(13-11-22)18-19-8-9-21(18)3/h4-9H,10-14H2,1-3H3
InChIKeyJRCIQTMSLNJYLL-UHFFFAOYSA-N
XLogP1.44
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779967
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-[(dimethylamino)methyl]phenyl]-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 122143430
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779958
[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-[4-[(dimethylamino)methyl]phenyl]methanone
CID 110245604
methyl-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamic acid
CID 66798756
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 71779949
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 45284165
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25284951

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 71990960) is [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is CN(C)Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is JRCIQTMSLNJYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-20(2)14-15-4-6-16(7-5-15)17(24)22-10-12-23(13-11-22)18-19-8-9-21(18)3/h4-9H,10-14H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71990960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).