N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine

C16H25N5 — CID 978261

IUPACN-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCCN2CCNCC2)nc2ccccc21
InChIInChI=1S/C16H25N5/c1-2-10-21-15-6-4-3-5-14(15)19-16(21)18-9-13-20-11-7-17-8-12-20/h3-6,17H,2,7-13H2,1H3,(H,18,19)
InChIKeyAUCSRSXQEVZCNW-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.76
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine

N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine (PubChem CID 978261) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
PubChem CID978261
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
SMILESCCCn1c(NCCN2CCNCC2)nc2ccccc21
InChIInChI=1S/C16H25N5/c1-2-10-21-15-6-4-3-5-14(15)19-16(21)18-9-13-20-11-7-17-8-12-20/h3-6,17H,2,7-13H2,1H3,(H,18,19)
InChIKeyAUCSRSXQEVZCNW-UHFFFAOYSA-N
XLogP1.76
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine
CID 924766
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
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
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-propyl-N-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 86782857
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-propylbenzimidazol-2-amine
CID 75434623
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine (CID 978261) is N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine is CCCn1c(NCCN2CCNCC2)nc2ccccc21.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine?
The InChIKey is AUCSRSXQEVZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-10-21-15-6-4-3-5-14(15)19-16(21)18-9-13-20-11-7-17-8-12-20/h3-6,17H,2,7-13H2,1H3,(H,18,19).
What are the key properties of N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine?
N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine is sourced from PubChem (CID 978261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).