N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine

C48H52N10 — CID 14980112

IUPACN-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
SMILESCn1c(CCN(CCc2nc3ccccc3n2C)Cc2cccc(CN(CCc3nc4ccccc4n3C)CCc3nc4ccccc4n3C)c2)nc2ccccc21
InChIInChI=1S/C48H52N10/c1-53-41-20-9-5-16-37(41)49-45(53)24-28-57(29-25-46-50-38-17-6-10-21-42(38)54(46)2)33-35-14-13-15-36(32-35)34-58(30-26-47-51-39-18-7-11-22-43(39)55(47)3)31-27-48-52-40-19-8-12-23-44(40)56(48)4/h5-23,32H,24-31,33-34H2,1-4H3
InChIKeyMNMXUUARYXCTRT-UHFFFAOYSA-N
MW769.01 g/mol
LogP7.81
Rot. Bonds16

About N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine

N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine (PubChem CID 14980112) has the molecular formula C48H52N10 and a molecular weight of 769.01 g/mol. Its IUPAC name is N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
PubChem CID14980112
Molecular FormulaC48H52N10
Molecular Weight769.01 g/mol
Exact Mass768.44
IUPAC NameN-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
SMILESCn1c(CCN(CCc2nc3ccccc3n2C)Cc2cccc(CN(CCc3nc4ccccc4n3C)CCc3nc4ccccc4n3C)c2)nc2ccccc21
InChIInChI=1S/C48H52N10/c1-53-41-20-9-5-16-37(41)49-45(53)24-28-57(29-25-46-50-38-17-6-10-21-42(38)54(46)2)33-35-14-13-15-36(32-35)34-58(30-26-47-51-39-18-7-11-22-43(39)55(47)3)31-27-48-52-40-19-8-12-23-44(40)56(48)4/h5-23,32H,24-31,33-34H2,1-4H3
InChIKeyMNMXUUARYXCTRT-UHFFFAOYSA-N
XLogP7.81
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.01
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine with MolForge

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Related Compounds

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CID 15552557
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
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3-(1H-benzimidazol-2-yl)-1-(1H-benzimidazol-2-ylmethyl)-5-phenyl-pyrrol-2-amine
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1,3-dibenzyl-2-methyl-1H-3,1-benzimidazol-3-ium chloride
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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine (CID 14980112) is N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine is Cn1c(CCN(CCc2nc3ccccc3n2C)Cc2cccc(CN(CCc3nc4ccccc4n3C)CCc3nc4ccccc4n3C)c2)nc2ccccc21.
What is the InChIKey of N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The InChIKey is MNMXUUARYXCTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N10/c1-53-41-20-9-5-16-37(41)49-45(53)24-28-57(29-25-46-50-38-17-6-10-21-42(38)54(46)2)33-35-14-13-15-36(32-35)34-58(30-26-47-51-39-18-7-11-22-43(39)55(47)3)31-27-48-52-40-19-8-12-23-44(40)56(48)4/h5-23,32H,24-31,33-34H2,1-4H3.
What are the key properties of N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine has a molecular weight of 769.01 g/mol, XLogP of 7.81, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[bis[2-(1-methylbenzimidazol-2-yl)ethyl]amino]methyl]phenyl]methyl]-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 14980112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).