N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide

C21H23ClIN3O — CID 18733832

IUPACN-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C21H23ClIN3O/c1-4-10-25(21(27)15-7-6-14(3)17(23)11-15)13-20-24-18-9-8-16(22)12-19(18)26(20)5-2/h6-9,11-12H,4-5,10,13H2,1-3H3
InChIKeyBKIARQYRJPOKES-UHFFFAOYSA-N
MW495.79 g/mol
LogP5.68
Rot. Bonds6

About N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide

N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide (PubChem CID 18733832) has the molecular formula C21H23ClIN3O and a molecular weight of 495.79 g/mol. Its IUPAC name is N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
PubChem CID18733832
Molecular FormulaC21H23ClIN3O
Molecular Weight495.79 g/mol
Exact Mass495.06
IUPAC NameN-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(C)c(I)c1
InChIInChI=1S/C21H23ClIN3O/c1-4-10-25(21(27)15-7-6-14(3)17(23)11-15)13-20-24-18-9-8-16(22)12-19(18)26(20)5-2/h6-9,11-12H,4-5,10,13H2,1-3H3
InChIKeyBKIARQYRJPOKES-UHFFFAOYSA-N
XLogP5.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.79
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide 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

3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732823
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 18733836
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 18733828
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
CID 18733799
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
CID 18733942
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide?
The IUPAC name of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide (CID 18733832) is N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide is CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(C)c(I)c1.
What is the InChIKey of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide?
The InChIKey is BKIARQYRJPOKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClIN3O/c1-4-10-25(21(27)15-7-6-14(3)17(23)11-15)13-20-24-18-9-8-16(22)12-19(18)26(20)5-2/h6-9,11-12H,4-5,10,13H2,1-3H3.
What are the key properties of N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide?
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide has a molecular weight of 495.79 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide is sourced from PubChem (CID 18733832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).