3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C26H26N4O — CID 44523864

IUPAC3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C26H26N4O/c31-26(27-14-17-30-15-3-4-16-30)22-7-5-6-21(18-22)19-10-12-20(13-11-19)25-28-23-8-1-2-9-24(23)29-25/h1-2,5-13,18H,3-4,14-17H2,(H,27,31)(H,28,29)
InChIKeyZQJFDFMPRWTSFZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.72
Rot. Bonds6

About 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 44523864) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID44523864
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C26H26N4O/c31-26(27-14-17-30-15-3-4-16-30)22-7-5-6-21(18-22)19-10-12-20(13-11-19)25-28-23-8-1-2-9-24(23)29-25/h1-2,5-13,18H,3-4,14-17H2,(H,27,31)(H,28,29)
InChIKeyZQJFDFMPRWTSFZ-UHFFFAOYSA-N
XLogP4.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)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 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 44523864) is 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ZQJFDFMPRWTSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c31-26(27-14-17-30-15-3-4-16-30)22-7-5-6-21(18-22)19-10-12-20(13-11-19)25-28-23-8-1-2-9-24(23)29-25/h1-2,5-13,18H,3-4,14-17H2,(H,27,31)(H,28,29).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 410.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 44523864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).