N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide

C14H18FN3O — CID 18734035

IUPACN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
SMILESCCCn1c(CN(C)C(C)=O)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3O/c1-4-7-18-13-8-11(15)5-6-12(13)16-14(18)9-17(3)10(2)19/h5-6,8H,4,7,9H2,1-3H3
InChIKeyRLWVPUHRZVBHIW-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.56
Rot. Bonds4

About N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide (PubChem CID 18734035) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
PubChem CID18734035
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
SMILESCCCn1c(CN(C)C(C)=O)nc2ccc(F)cc21
InChIInChI=1S/C14H18FN3O/c1-4-7-18-13-8-11(15)5-6-12(13)16-14(18)9-17(3)10(2)19/h5-6,8H,4,7,9H2,1-3H3
InChIKeyRLWVPUHRZVBHIW-UHFFFAOYSA-N
XLogP2.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734004
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 18734542
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide
CID 22270262
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18733884
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522
2-(azetidin-3-ylmethyl)-6-fluoro-1-propylbenzimidazole
CID 64611043

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide (CID 18734035) is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide is CCCn1c(CN(C)C(C)=O)nc2ccc(F)cc21.
What is the InChIKey of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide?
The InChIKey is RLWVPUHRZVBHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-7-18-13-8-11(15)5-6-12(13)16-14(18)9-17(3)10(2)19/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide?
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide has a molecular weight of 263.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 18734035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).