2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

C25H32ClN5O — CID 46480250

IUPAC2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCC(c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C25H32ClN5O/c1-19(30-13-7-12-29(14-15-30)18-24(32)28(2)3)25-27-22-16-21(26)10-11-23(22)31(25)17-20-8-5-4-6-9-20/h4-6,8-11,16,19H,7,12-15,17-18H2,1-3H3
InChIKeyAKZXKABFJQHSND-UHFFFAOYSA-N
MW454.02 g/mol
LogP3.89
Rot. Bonds6

About 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 46480250) has the molecular formula C25H32ClN5O and a molecular weight of 454.02 g/mol. Its IUPAC name is 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID46480250
Molecular FormulaC25H32ClN5O
Molecular Weight454.02 g/mol
Exact Mass453.23
IUPAC Name2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCC(c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C25H32ClN5O/c1-19(30-13-7-12-29(14-15-30)18-24(32)28(2)3)25-27-22-16-21(26)10-11-23(22)31(25)17-20-8-5-4-6-9-20/h4-6,8-11,16,19H,7,12-15,17-18H2,1-3H3
InChIKeyAKZXKABFJQHSND-UHFFFAOYSA-N
XLogP3.89
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119903896
1-benzyl-5-chloro-2-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzimidazole
CID 36641259
N,N-dimethyl-2-[4-[(1R)-1-(3-methylphenyl)ethyl]-1,4-diazepan-1-yl]acetamide
CID 95899527
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922
N,N-dimethyl-2-[4-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 94399883
N,N-dimethyl-2-[4-[1-(1-phenyltetrazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 51086676
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
(3R)-1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperidin-3-ol
CID 95378823
N-benzyl-2-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)oxy-N-propan-2-ylacetamide
CID 20994850
3-[(1R)-1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 35500065
3-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 42948969
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 46480250) is 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is CC(c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is AKZXKABFJQHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O/c1-19(30-13-7-12-29(14-15-30)18-24(32)28(2)3)25-27-22-16-21(26)10-11-23(22)31(25)17-20-8-5-4-6-9-20/h4-6,8-11,16,19H,7,12-15,17-18H2,1-3H3.
What are the key properties of 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 454.02 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 46480250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).