1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine

C18H29N5 — CID 924766

IUPAC1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine
SMILESCC(C)CCn1c(NCCN2CCNCC2)nc2ccccc21
InChIInChI=1S/C18H29N5/c1-15(2)7-11-23-17-6-4-3-5-16(17)21-18(23)20-10-14-22-12-8-19-9-13-22/h3-6,15,19H,7-14H2,1-2H3,(H,20,21)
InChIKeyCMMQOCDLBQMGBG-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.40
Rot. Bonds7

About 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine

1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine (PubChem CID 924766) has the molecular formula C18H29N5 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine
PubChem CID924766
Molecular FormulaC18H29N5
Molecular Weight315.46 g/mol
Exact Mass315.24
IUPAC Name1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine
SMILESCC(C)CCn1c(NCCN2CCNCC2)nc2ccccc21
InChIInChI=1S/C18H29N5/c1-15(2)7-11-23-17-6-4-3-5-16(17)21-18(23)20-10-14-22-12-8-19-9-13-22/h3-6,15,19H,7-14H2,1-2H3,(H,20,21)
InChIKeyCMMQOCDLBQMGBG-UHFFFAOYSA-N
XLogP2.40
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
CID 978261
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
CID 18460636
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
4-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperazine-2-carboxylic acid
CID 56877047
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449453
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine (CID 924766) is 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine is CC(C)CCn1c(NCCN2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is CMMQOCDLBQMGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-15(2)7-11-23-17-6-4-3-5-16(17)21-18(23)20-10-14-22-12-8-19-9-13-22/h3-6,15,19H,7-14H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine?
1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 315.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 924766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).