N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C16H22ClN5O — CID 118788473

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H22ClN5O/c1-21-5-2-6-22(8-7-21)11-16(23)18-10-15-19-13-4-3-12(17)9-14(13)20-15/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyOURPHRXPVXEVRD-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.47
Rot. Bonds4

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 118788473) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID118788473
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCN1CCCN(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H22ClN5O/c1-21-5-2-6-22(8-7-21)11-16(23)18-10-15-19-13-4-3-12(17)9-14(13)20-15/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,23)(H,19,20)
InChIKeyOURPHRXPVXEVRD-UHFFFAOYSA-N
XLogP1.47
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide 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-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 118788473) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CN1CCCN(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is OURPHRXPVXEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-21-5-2-6-22(8-7-21)11-16(23)18-10-15-19-13-4-3-12(17)9-14(13)20-15/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 335.84 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 118788473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).