2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole

C18H21ClN6 — CID 46225372

IUPAC2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
SMILESCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21
InChIInChI=1S/C18H21ClN6/c1-2-25-16-6-4-3-5-15(16)22-17(25)13-23-7-9-24(10-8-23)18-20-11-14(19)12-21-18/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyIVPJEINTAYGTFN-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.82
Rot. Bonds4

About 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole

2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole (PubChem CID 46225372) has the molecular formula C18H21ClN6 and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
PubChem CID46225372
Molecular FormulaC18H21ClN6
Molecular Weight356.86 g/mol
Exact Mass356.15
IUPAC Name2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
SMILESCCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21
InChIInChI=1S/C18H21ClN6/c1-2-25-16-6-4-3-5-15(16)22-17(25)13-23-7-9-24(10-8-23)18-20-11-14(19)12-21-18/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyIVPJEINTAYGTFN-UHFFFAOYSA-N
XLogP2.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Meiqx
CID 62275
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
Cgp74514A
CID 2794188
2-Amino-3-Methylimidazo(4,5-f)quinoxaline
CID 105041
Ruserontinib
CID 54760385
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54760383
9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54761307
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
The IUPAC name of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole (CID 46225372) is 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole.
What is the SMILES notation for 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
The canonical SMILES for 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole is CCn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21.
What is the InChIKey of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
The InChIKey is IVPJEINTAYGTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6/c1-2-25-16-6-4-3-5-15(16)22-17(25)13-23-7-9-24(10-8-23)18-20-11-14(19)12-21-18/h3-6,11-12H,2,7-10,13H2,1H3.
What are the key properties of 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole?
2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole has a molecular weight of 356.86 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole is sourced from PubChem (CID 46225372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).