1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine

C18H25ClN4 — CID 10404561

IUPAC1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
SMILESCCCCc1nc(Cl)c(CN2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C18H25ClN4/c1-2-3-9-17-20-16(18(19)21-17)14-22-10-12-23(13-11-22)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,20,21)
InChIKeyXZUPMRNJTFUINR-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.73
Rot. Bonds6

About 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine

1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine (PubChem CID 10404561) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
PubChem CID10404561
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
SMILESCCCCc1nc(Cl)c(CN2CCN(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C18H25ClN4/c1-2-3-9-17-20-16(18(19)21-17)14-22-10-12-23(13-11-22)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,20,21)
InChIKeyXZUPMRNJTFUINR-UHFFFAOYSA-N
XLogP3.73
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 56874821
4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70752341
N-[(3S,4S)-1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperidin-3-yl]cyclopropanecarboxamide
CID 169413653
2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 99929827
6-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911909
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56701527
4-[4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]benzoic acid
CID 122561842
(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324
CID 58841302
CID 58841302
(3S)-2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99832420
1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine
CID 139017912
9-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56908339

Frequently Asked Questions

What is the IUPAC name of 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine (CID 10404561) is 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine is CCCCc1nc(Cl)c(CN2CCN(c3ccccc3)CC2)[nH]1.
What is the InChIKey of 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine?
The InChIKey is XZUPMRNJTFUINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4/c1-2-3-9-17-20-16(18(19)21-17)14-22-10-12-23(13-11-22)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,20,21).
What are the key properties of 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine?
1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine has a molecular weight of 332.88 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 10404561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).