N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine

C27H29N5 — CID 10717181

IUPACN-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
SMILESCn1c(CCN(CCc2nc3ccccc3n2C)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N5/c1-30-24-14-8-6-12-22(24)28-26(30)16-18-32(20-21-10-4-3-5-11-21)19-17-27-29-23-13-7-9-15-25(23)31(27)2/h3-15H,16-20H2,1-2H3
InChIKeyGLXGKIQCVMCWFV-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.75
Rot. Bonds8

About N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine

N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine (PubChem CID 10717181) has the molecular formula C27H29N5 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
PubChem CID10717181
Molecular FormulaC27H29N5
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC NameN-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
SMILESCn1c(CCN(CCc2nc3ccccc3n2C)Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C27H29N5/c1-30-24-14-8-6-12-22(24)28-26(30)16-18-32(20-21-10-4-3-5-11-21)19-17-27-29-23-13-7-9-15-25(23)31(27)2/h3-15H,16-20H2,1-2H3
InChIKeyGLXGKIQCVMCWFV-UHFFFAOYSA-N
XLogP4.75
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine (CID 10717181) is N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine is Cn1c(CCN(CCc2nc3ccccc3n2C)Cc2ccccc2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The InChIKey is GLXGKIQCVMCWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5/c1-30-24-14-8-6-12-22(24)28-26(30)16-18-32(20-21-10-4-3-5-11-21)19-17-27-29-23-13-7-9-15-25(23)31(27)2/h3-15H,16-20H2,1-2H3.
What are the key properties of N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine has a molecular weight of 423.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-methylbenzimidazol-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 10717181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).