N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide

C26H26N4O3 — CID 44591534

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1CN1CCOCC1
InChIInChI=1S/C26H26N4O3/c1-32-24-11-10-18(16-19(24)17-30-12-14-33-15-13-30)26(31)29-21-7-3-2-6-20(21)25-27-22-8-4-5-9-23(22)28-25/h2-11,16H,12-15,17H2,1H3,(H,27,28)(H,29,31)
InChIKeyXDPKGIFUGQEWKO-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 44591534) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide
PubChem CID44591534
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1CN1CCOCC1
InChIInChI=1S/C26H26N4O3/c1-32-24-11-10-18(16-19(24)17-30-12-14-33-15-13-30)26(31)29-21-7-3-2-6-20(21)25-27-22-8-4-5-9-23(22)28-25/h2-11,16H,12-15,17H2,1H3,(H,27,28)(H,29,31)
InChIKeyXDPKGIFUGQEWKO-UHFFFAOYSA-N
XLogP4.32
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide 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-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide (CID 44591534) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1CN1CCOCC1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is XDPKGIFUGQEWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-32-24-11-10-18(16-19(24)17-30-12-14-33-15-13-30)26(31)29-21-7-3-2-6-20(21)25-27-22-8-4-5-9-23(22)28-25/h2-11,16H,12-15,17H2,1H3,(H,27,28)(H,29,31).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 44591534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).