1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole

C18H20N4 — CID 175763728

IUPAC1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H20N4/c1-21-15-8-5-9-16(22-12-10-19-11-13-22)17(15)20-18(21)14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3
InChIKeyNGTJAUGOZCKFSK-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.65
Rot. Bonds2

About 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole

1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole (PubChem CID 175763728) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole
PubChem CID175763728
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H20N4/c1-21-15-8-5-9-16(22-12-10-19-11-13-22)17(15)20-18(21)14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3
InChIKeyNGTJAUGOZCKFSK-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole 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

1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
(1-methyl-2-phenylbenzimidazol-4-yl)-diphenylphosphane
CID 58555925
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-ethyl-4-piperazin-1-ylbenzotriazole
CID 84726444
1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
CID 46204683
ethane;1-methyl-2-phenylsulfanyl-4-piperazin-1-ylindole
CID 142875000
2-methyl-5-piperazin-1-ylquinazoline
CID 57444358
1-methyl-5-piperazin-1-ylquinolin-2-one
CID 82279962
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
2-phenyl-6-(2-piperazin-1-ylphenyl)benzamide
CID 69412038

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole (CID 175763728) is 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole is Cn1c(-c2ccccc2)nc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole?
The InChIKey is NGTJAUGOZCKFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-15-8-5-9-16(22-12-10-19-11-13-22)17(15)20-18(21)14-6-3-2-4-7-14/h2-9,19H,10-13H2,1H3.
What are the key properties of 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole?
1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole has a molecular weight of 292.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 175763728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).