methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate

C18H17ClFN3O2 — CID 16956053

IUPACmethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C18H17ClFN3O2/c1-22(18(24)25-2)11-17-21-15-8-3-4-9-16(15)23(17)10-12-13(19)6-5-7-14(12)20/h3-9H,10-11H2,1-2H3
InChIKeyLEYMESNGMVVDEL-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.08
Rot. Bonds4

About methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate

methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate (PubChem CID 16956053) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate
PubChem CID16956053
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Namemethyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C18H17ClFN3O2/c1-22(18(24)25-2)11-17-21-15-8-3-4-9-16(15)23(17)10-12-13(19)6-5-7-14(12)20/h3-9H,10-11H2,1-2H3
InChIKeyLEYMESNGMVVDEL-UHFFFAOYSA-N
XLogP4.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5309446
Clemizole
CID 2782
Chlormidazole
CID 71821
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 872991
1-(4-Chlorophenylmethyl)-2-aminobenzimidazole
CID 743900
1-(4-Fluorobenzyl)-2-chlorobenzimidazole
CID 3020241
4-Chloro-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
CID 492667
2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
CID 735650
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propanamide
CID 914315
N-{2-[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}acetamide
CID 1505390
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
CID 881644

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate (CID 16956053) is methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate is COC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
The InChIKey is LEYMESNGMVVDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-22(18(24)25-2)11-17-21-15-8-3-4-9-16(15)23(17)10-12-13(19)6-5-7-14(12)20/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate?
methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate has a molecular weight of 361.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 16956053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).