N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide

C27H28ClN3O — CID 17009493

IUPACN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
SMILESCCC(C)c1ccc(Cn2c(C(C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H28ClN3O/c1-4-18(2)21-11-9-20(10-12-21)17-31-25-8-6-5-7-24(25)30-26(31)19(3)29-27(32)22-13-15-23(28)16-14-22/h5-16,18-19H,4,17H2,1-3H3,(H,29,32)
InChIKeyBWTBMTZRACXMQN-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.74
Rot. Bonds7

About N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide

N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide (PubChem CID 17009493) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
PubChem CID17009493
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC NameN-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
SMILESCCC(C)c1ccc(Cn2c(C(C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H28ClN3O/c1-4-18(2)21-11-9-20(10-12-21)17-31-25-8-6-5-7-24(25)30-26(31)19(3)29-27(32)22-13-15-23(28)16-14-22/h5-16,18-19H,4,17H2,1-3H3,(H,29,32)
InChIKeyBWTBMTZRACXMQN-UHFFFAOYSA-N
XLogP6.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-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

Related Compounds

N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973188
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
The IUPAC name of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide (CID 17009493) is N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide is CCC(C)c1ccc(Cn2c(C(C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
The InChIKey is BWTBMTZRACXMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-4-18(2)21-11-9-20(10-12-21)17-31-25-8-6-5-7-24(25)30-26(31)19(3)29-27(32)22-13-15-23(28)16-14-22/h5-16,18-19H,4,17H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide?
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide has a molecular weight of 445.99 g/mol, XLogP of 6.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide is sourced from PubChem (CID 17009493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).