N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide

C19H19ClIN3O — CID 18733942

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
SMILESCCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClIN3O/c1-3-9-24-17-11-14(20)7-8-16(17)22-18(24)12-23(2)19(25)13-5-4-6-15(21)10-13/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyRIMHETVOSSZYAN-UHFFFAOYSA-N
MW467.74 g/mol
LogP4.98
Rot. Bonds5

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide (PubChem CID 18733942) has the molecular formula C19H19ClIN3O and a molecular weight of 467.74 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
PubChem CID18733942
Molecular FormulaC19H19ClIN3O
Molecular Weight467.74 g/mol
Exact Mass467.03
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
SMILESCCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C19H19ClIN3O/c1-3-9-24-17-11-14(20)7-8-16(17)22-18(24)12-23(2)19(25)13-5-4-6-15(21)10-13/h4-8,10-11H,3,9,12H2,1-2H3
InChIKeyRIMHETVOSSZYAN-UHFFFAOYSA-N
XLogP4.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.74
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-iodobenzamide
CID 18733805
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
CID 18732505
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
3-bromo-4-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide
CID 161160214

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide (CID 18733942) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide is CCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide?
The InChIKey is RIMHETVOSSZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClIN3O/c1-3-9-24-17-11-14(20)7-8-16(17)22-18(24)12-23(2)19(25)13-5-4-6-15(21)10-13/h4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide has a molecular weight of 467.74 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide is sourced from PubChem (CID 18733942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).