2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole

C14H20N4 — CID 44783469

IUPAC2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole
SMILESCC(C)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4/c1-10(2)18-8-7-15-9-13(18)14-16-11-5-3-4-6-12(11)17-14/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyGSIJQRFBZNKORZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.92
Rot. Bonds2

About 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole

2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole (PubChem CID 44783469) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole
PubChem CID44783469
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole
SMILESCC(C)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C14H20N4/c1-10(2)18-8-7-15-9-13(18)14-16-11-5-3-4-6-12(11)17-14/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyGSIJQRFBZNKORZ-UHFFFAOYSA-N
XLogP1.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
CID 44783462
1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 44783456
[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 44783443
2-[1-[1-[3-(3,4-dichlorophenyl)pyrrolidin-2-yl]ethyl]-1,4-diazepan-2-yl]-1H-benzimidazole
CID 142642743
[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 44783449
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
2-(2-methylpiperazin-1-yl)sulfonyl-1H-benzimidazole
CID 71639600
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
(2S)-2-(1H-benzimidazol-2-yl)-1-methylpiperidine-4,4-diol
CID 125496316
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole (CID 44783469) is 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole is CC(C)N1CCNCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole?
The InChIKey is GSIJQRFBZNKORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)18-8-7-15-9-13(18)14-16-11-5-3-4-6-12(11)17-14/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole?
2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole is sourced from PubChem (CID 44783469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).