N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine

C13H18FN3 — CID 62827798

IUPACN-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCCNC(C)Cc1nc2ccc(F)cc2n1C
InChIInChI=1S/C13H18FN3/c1-4-15-9(2)7-13-16-11-6-5-10(14)8-12(11)17(13)3/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyKZUVUZPLOZZVEA-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.25
Rot. Bonds4

About N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine

N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine (PubChem CID 62827798) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine
PubChem CID62827798
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCCNC(C)Cc1nc2ccc(F)cc2n1C
InChIInChI=1S/C13H18FN3/c1-4-15-9(2)7-13-16-11-6-5-10(14)8-12(11)17(13)3/h5-6,8-9,15H,4,7H2,1-3H3
InChIKeyKZUVUZPLOZZVEA-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylimidazo[4,5-c]pyridin-2-yl)propan-2-amine
CID 114793263
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227022
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
1-(5-chloro-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827617
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828153
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
(2S)-2-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119883594
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine (CID 62827798) is N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine is CCNC(C)Cc1nc2ccc(F)cc2n1C.
What is the InChIKey of N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is KZUVUZPLOZZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-4-15-9(2)7-13-16-11-6-5-10(14)8-12(11)17(13)3/h5-6,8-9,15H,4,7H2,1-3H3.
What are the key properties of N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine?
N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 62827798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).