2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine

C12H16FN3 — CID 81072710

IUPAC2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H16FN3/c1-2-8(7-14)6-11-15-10-5-3-4-9(13)12(10)16-11/h3-5,8H,2,6-7,14H2,1H3,(H,15,16)
InChIKeyPGESAGOCDPFYFF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.23
Rot. Bonds4

About 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine

2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine (PubChem CID 81072710) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
PubChem CID81072710
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H16FN3/c1-2-8(7-14)6-11-15-10-5-3-4-9(13)12(10)16-11/h3-5,8H,2,6-7,14H2,1H3,(H,15,16)
InChIKeyPGESAGOCDPFYFF-UHFFFAOYSA-N
XLogP2.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
2-[2-(aminomethyl)butyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 81072327
2-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81073477
5-(4-fluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 82847015
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
CID 79806891
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
ethyl 2-(4-fluoro-1H-benzimidazol-2-yl)propanoate
CID 79474563
2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
CID 64722128
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 75466914
N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 62852421

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine (CID 81072710) is 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine is CCC(CN)Cc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is PGESAGOCDPFYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-2-8(7-14)6-11-15-10-5-3-4-9(13)12(10)16-11/h3-5,8H,2,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine?
2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 221.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 81072710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).