N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline

C25H36N6 — CID 143191657

IUPACN-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline
SMILESCC(C)NCc1nc2c(N3CCN(C)CC3)cccc2[nH]1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C16H25N5.C9H11N/c1-12(2)17-11-15-18-13-5-4-6-14(16(13)19-15)21-9-7-20(3)8-10-21;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,12,17H,7-11H2,1-3H3,(H,18,19);3,5,7H,1-2,4,6H2
InChIKeyPJRATQJJKBJUFR-UHFFFAOYSA-N
MW420.61 g/mol
LogP3.77
Rot. Bonds4

About N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline

N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline (PubChem CID 143191657) has the molecular formula C25H36N6 and a molecular weight of 420.61 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline
PubChem CID143191657
Molecular FormulaC25H36N6
Molecular Weight420.61 g/mol
Exact Mass420.30
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline
SMILESCC(C)NCc1nc2c(N3CCN(C)CC3)cccc2[nH]1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C16H25N5.C9H11N/c1-12(2)17-11-15-18-13-5-4-6-14(16(13)19-15)21-9-7-20(3)8-10-21;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,12,17H,7-11H2,1-3H3,(H,18,19);3,5,7H,1-2,4,6H2
InChIKeyPJRATQJJKBJUFR-UHFFFAOYSA-N
XLogP3.77
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 11560480
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11675794
(4aR,10bR)-1-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 68944303
N-methyl-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethanamine;5,6,7,8-tetrahydroquinoline
CID 143198321
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
2-[(2R,6S)-6-(3-cyclopropyl-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 154620183
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
CID 14855666
N-[[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 141350644
N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-1-pyridin-2-ylmethanamine;5,6,7,8-tetrahydroquinoline
CID 143208914
[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methanamine;5,6,7,8-tetrahydroquinoline
CID 143196391
tert-butyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]piperazine-1-carboxylate
CID 45484548

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline (CID 143191657) is N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline is CC(C)NCc1nc2c(N3CCN(C)CC3)cccc2[nH]1.c1cnc2c(c1)CCCC2.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline?
The InChIKey is PJRATQJJKBJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.C9H11N/c1-12(2)17-11-15-18-13-5-4-6-14(16(13)19-15)21-9-7-20(3)8-10-21;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,12,17H,7-11H2,1-3H3,(H,18,19);3,5,7H,1-2,4,6H2.
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline?
N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline has a molecular weight of 420.61 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]propan-2-amine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143191657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).