N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline

C32H30N6O2 — CID 70289830

IUPACN-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline
SMILESCOc1cccc(OC)c1N(C)C(C)c1nc2cc(-n3ccnc3)c(-c3ccc(-c4ccncc4)cc3)cc2[nH]1
InChIInChI=1S/C32H30N6O2/c1-21(37(2)31-29(39-3)6-5-7-30(31)40-4)32-35-26-18-25(28(19-27(26)36-32)38-17-16-34-20-38)24-10-8-22(9-11-24)23-12-14-33-15-13-23/h5-21H,1-4H3,(H,35,36)
InChIKeyCDOVSJLSWOPQMP-UHFFFAOYSA-N
MW530.63 g/mol
LogP6.69
Rot. Bonds8

About N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline

N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline (PubChem CID 70289830) has the molecular formula C32H30N6O2 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline.

Molecular Properties

Compound NameN-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline
PubChem CID70289830
Molecular FormulaC32H30N6O2
Molecular Weight530.63 g/mol
Exact Mass530.24
IUPAC NameN-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline
SMILESCOc1cccc(OC)c1N(C)C(C)c1nc2cc(-n3ccnc3)c(-c3ccc(-c4ccncc4)cc3)cc2[nH]1
InChIInChI=1S/C32H30N6O2/c1-21(37(2)31-29(39-3)6-5-7-30(31)40-4)32-35-26-18-25(28(19-27(26)36-32)38-17-16-34-20-38)24-10-8-22(9-11-24)23-12-14-33-15-13-23/h5-21H,1-4H3,(H,35,36)
InChIKeyCDOVSJLSWOPQMP-UHFFFAOYSA-N
XLogP6.69
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline 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-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline?
The IUPAC name of N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline (CID 70289830) is N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline.
What is the SMILES notation for N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline?
The canonical SMILES for N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline is COc1cccc(OC)c1N(C)C(C)c1nc2cc(-n3ccnc3)c(-c3ccc(-c4ccncc4)cc3)cc2[nH]1.
What is the InChIKey of N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline?
The InChIKey is CDOVSJLSWOPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O2/c1-21(37(2)31-29(39-3)6-5-7-30(31)40-4)32-35-26-18-25(28(19-27(26)36-32)38-17-16-34-20-38)24-10-8-22(9-11-24)23-12-14-33-15-13-23/h5-21H,1-4H3,(H,35,36).
What are the key properties of N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline?
N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline has a molecular weight of 530.63 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline is sourced from PubChem (CID 70289830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).