2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole

C16H24N4 — CID 62316014

IUPAC2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
SMILESCC(c1nc2ccccc2n1C(C)C)N1CCNCC1
InChIInChI=1S/C16H24N4/c1-12(2)20-15-7-5-4-6-14(15)18-16(20)13(3)19-10-8-17-9-11-19/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyBQQAPIMYNIDJMI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.58
Rot. Bonds3

About 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole

2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole (PubChem CID 62316014) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
PubChem CID62316014
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
SMILESCC(c1nc2ccccc2n1C(C)C)N1CCNCC1
InChIInChI=1S/C16H24N4/c1-12(2)20-15-7-5-4-6-14(15)18-16(20)13(3)19-10-8-17-9-11-19/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyBQQAPIMYNIDJMI-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
CID 46555831
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
(R)-phenyl-(1-propan-2-ylbenzimidazol-2-yl)methanol
CID 799402
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119890737
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole (CID 62316014) is 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole is CC(c1nc2ccccc2n1C(C)C)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole?
The InChIKey is BQQAPIMYNIDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)20-15-7-5-4-6-14(15)18-16(20)13(3)19-10-8-17-9-11-19/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole?
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole has a molecular weight of 272.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 62316014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).