2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole

C18H20N4 — CID 68671011

IUPAC2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
SMILESCN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)18-19-16-4-2-3-5-17(16)20-18/h2-9H,10-13H2,1H3,(H,19,20)
InChIKeyMTCZGPPSHVGCKQ-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.98
Rot. Bonds2

About 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole

2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole (PubChem CID 68671011) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
PubChem CID68671011
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
SMILESCN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1
InChIInChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)18-19-16-4-2-3-5-17(16)20-18/h2-9H,10-13H2,1H3,(H,19,20)
InChIKeyMTCZGPPSHVGCKQ-UHFFFAOYSA-N
XLogP2.98
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

Glasdegib
CID 25166913
Lerisetron
CID 65997
Bendazol
CID 12132
Mavorixafor
CID 11256587
2-Methylbenzimidazole
CID 11984
2-Phenylbenzimidazole
CID 12855
Toreforant
CID 23650961
5-Methylbenzimidazole
CID 11979
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
Tecastemizole
CID 123618
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole (CID 68671011) is 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole is CN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
The InChIKey is MTCZGPPSHVGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-10-12-22(13-11-21)15-8-6-14(7-9-15)18-19-16-4-2-3-5-17(16)20-18/h2-9H,10-13H2,1H3,(H,19,20).
What are the key properties of 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole?
2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 68671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).