N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide

C26H36ClN5O — CID 123823332

IUPACN-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide
SMILESCCCC(CN)n1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CNC(C)C(C)(C)C)ccc21
InChIInChI=1S/C26H36ClN5O/c1-6-7-21(15-28)32-23-13-8-18(16-29-17(2)26(3,4)5)14-22(23)30-25(32)31-24(33)19-9-11-20(27)12-10-19/h8-14,17,21,29H,6-7,15-16,28H2,1-5H3,(H,30,31,33)
InChIKeyUZVXTJGWHBSXQX-UHFFFAOYSA-N
MW470.06 g/mol
LogP5.77
Rot. Bonds9

About N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide

N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide (PubChem CID 123823332) has the molecular formula C26H36ClN5O and a molecular weight of 470.06 g/mol. Its IUPAC name is N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide
PubChem CID123823332
Molecular FormulaC26H36ClN5O
Molecular Weight470.06 g/mol
Exact Mass469.26
IUPAC NameN-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide
SMILESCCCC(CN)n1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CNC(C)C(C)(C)C)ccc21
InChIInChI=1S/C26H36ClN5O/c1-6-7-21(15-28)32-23-13-8-18(16-29-17(2)26(3,4)5)14-22(23)30-25(32)31-24(33)19-9-11-20(27)12-10-19/h8-14,17,21,29H,6-7,15-16,28H2,1-5H3,(H,30,31,33)
InChIKeyUZVXTJGWHBSXQX-UHFFFAOYSA-N
XLogP5.77
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.06
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide 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-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide (CID 123823332) is N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide is CCCC(CN)n1c(NC(=O)c2ccc(Cl)cc2)nc2cc(CNC(C)C(C)(C)C)ccc21.
What is the InChIKey of N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide?
The InChIKey is UZVXTJGWHBSXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN5O/c1-6-7-21(15-28)32-23-13-8-18(16-29-17(2)26(3,4)5)14-22(23)30-25(32)31-24(33)19-9-11-20(27)12-10-19/h8-14,17,21,29H,6-7,15-16,28H2,1-5H3,(H,30,31,33).
What are the key properties of N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide?
N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide has a molecular weight of 470.06 g/mol, XLogP of 5.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminopentan-2-yl)-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 123823332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).