N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine

C37H33N5 — CID 102291561

IUPACN,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CN(Cc2nc3ccccc3n2Cc2ccccc2)Cc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C37H33N5/c1-4-14-29(15-5-1)24-40(27-36-38-32-20-10-12-22-34(32)41(36)25-30-16-6-2-7-17-30)28-37-39-33-21-11-13-23-35(33)42(37)26-31-18-8-3-9-19-31/h1-23H,24-28H2
InChIKeyBZLFWYMFHZRPHU-UHFFFAOYSA-N
MW547.71 g/mol
LogP7.68
Rot. Bonds10

About N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine

N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine (PubChem CID 102291561) has the molecular formula C37H33N5 and a molecular weight of 547.71 g/mol. Its IUPAC name is N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine
PubChem CID102291561
Molecular FormulaC37H33N5
Molecular Weight547.71 g/mol
Exact Mass547.27
IUPAC NameN,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine
SMILESc1ccc(CN(Cc2nc3ccccc3n2Cc2ccccc2)Cc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C37H33N5/c1-4-14-29(15-5-1)24-40(27-36-38-32-20-10-12-22-34(32)41(36)25-30-16-6-2-7-17-30)28-37-39-33-21-11-13-23-35(33)42(37)26-31-18-8-3-9-19-31/h1-23H,24-28H2
InChIKeyBZLFWYMFHZRPHU-UHFFFAOYSA-N
XLogP7.68
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.71
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine (CID 102291561) is N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine is c1ccc(CN(Cc2nc3ccccc3n2Cc2ccccc2)Cc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is BZLFWYMFHZRPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5/c1-4-14-29(15-5-1)24-40(27-36-38-32-20-10-12-22-34(32)41(36)25-30-16-6-2-7-17-30)28-37-39-33-21-11-13-23-35(33)42(37)26-31-18-8-3-9-19-31/h1-23H,24-28H2.
What are the key properties of N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine?
N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 547.71 g/mol, XLogP of 7.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(1-benzylbenzimidazol-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 102291561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).