5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline

C24H27N5O — CID 10150796

IUPAC5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
InChIInChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
InChIKeyFGBDLJIVZVBTAG-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.62
Rot. Bonds6

About 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline

5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline (PubChem CID 10150796) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
PubChem CID10150796
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline
SMILESCc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
InChIInChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
InChIKeyFGBDLJIVZVBTAG-UHFFFAOYSA-N
XLogP3.62
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Crenolanib
CID 10366136
CP-673451
CID 10158940
N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
2-Aminobenzimidazole, 12
CID 17755723
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile
CID 5330118
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330186
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-(quinolin-4-yloxy)-1H-1,3-benzodiazol-2-amine
CID 11477532
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 16731782
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The IUPAC name of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline (CID 10150796) is 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline.
What is the SMILES notation for 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The canonical SMILES for 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline is Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1.
What is the InChIKey of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
The InChIKey is FGBDLJIVZVBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26).
What are the key properties of 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline?
5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline has a molecular weight of 401.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1H-benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy]-2-methylquinoline is sourced from PubChem (CID 10150796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).