1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide

C21H28BrN5 — CID 18460636

IUPAC1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
SMILESBr.CCn1c(NCCN2CCN(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C21H27N5.BrH/c1-2-26-20-11-7-6-10-19(20)23-21(26)22-12-13-24-14-16-25(17-15-24)18-8-4-3-5-9-18;/h3-11H,2,12-17H2,1H3,(H,22,23);1H
InChIKeyZNRXXVONLKHWNF-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.87
Rot. Bonds6

About 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide

1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide (PubChem CID 18460636) has the molecular formula C21H28BrN5 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
PubChem CID18460636
Molecular FormulaC21H28BrN5
Molecular Weight430.39 g/mol
Exact Mass429.15
IUPAC Name1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
SMILESBr.CCn1c(NCCN2CCN(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C21H27N5.BrH/c1-2-26-20-11-7-6-10-19(20)23-21(26)22-12-13-24-14-16-25(17-15-24)18-8-4-3-5-9-18;/h3-11H,2,12-17H2,1H3,(H,22,23);1H
InChIKeyZNRXXVONLKHWNF-UHFFFAOYSA-N
XLogP3.87
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
N-(2-piperazin-1-ylethyl)-1-propylbenzimidazol-2-amine
CID 978261
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-2-amine
CID 10109444
1-(3-methylbutyl)-N-(2-piperazin-1-ylethyl)benzimidazol-2-amine
CID 924766
3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167740
2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46295505
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
N-[(4-chlorophenyl)methyl]-1-ethylbenzimidazol-2-amine
CID 7013067
2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol
CID 4787112
1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
CID 143063274

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide?
The IUPAC name of 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide (CID 18460636) is 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide.
What is the SMILES notation for 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide?
The canonical SMILES for 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide is Br.CCn1c(NCCN2CCN(c3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide?
The InChIKey is ZNRXXVONLKHWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5.BrH/c1-2-26-20-11-7-6-10-19(20)23-21(26)22-12-13-24-14-16-25(17-15-24)18-8-4-3-5-9-18;/h3-11H,2,12-17H2,1H3,(H,22,23);1H.
What are the key properties of 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide?
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide has a molecular weight of 430.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide is sourced from PubChem (CID 18460636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).