N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

C13H18FN3 — CID 63065892

IUPACN-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc2c(F)cccc2n1C
InChIInChI=1S/C13H18FN3/c1-9(2)7-15-8-12-16-13-10(14)5-4-6-11(13)17(12)3/h4-6,9,15H,7-8H2,1-3H3
InChIKeyBYSGAFJECQNAIT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.46
Rot. Bonds4

About N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine

N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63065892) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID63065892
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc2c(F)cccc2n1C
InChIInChI=1S/C13H18FN3/c1-9(2)7-15-8-12-16-13-10(14)5-4-6-11(13)17(12)3/h4-6,9,15H,7-8H2,1-3H3
InChIKeyBYSGAFJECQNAIT-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine
CID 168925062
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 168925054
1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
CID 79873477
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 60783668
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 95621264
2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227019
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763143
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine (CID 63065892) is N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc2c(F)cccc2n1C.
What is the InChIKey of N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is BYSGAFJECQNAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-9(2)7-15-8-12-16-13-10(14)5-4-6-11(13)17(12)3/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine?
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63065892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).