N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine

C12H16FN3 — CID 62852421

IUPACN-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCNCC(C)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H16FN3/c1-3-14-7-8(2)12-15-10-6-4-5-9(13)11(10)16-12/h4-6,8,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyFNWQLPVIKFVXOF-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine

N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 62852421) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID62852421
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC NameN-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCNCC(C)c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C12H16FN3/c1-3-14-7-8(2)12-15-10-6-4-5-9(13)11(10)16-12/h4-6,8,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyFNWQLPVIKFVXOF-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine (CID 62852421) is N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine is CCNCC(C)c1nc2c(F)cccc2[nH]1.
What is the InChIKey of N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is FNWQLPVIKFVXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-3-14-7-8(2)12-15-10-6-4-5-9(13)11(10)16-12/h4-6,8,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine?
N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 221.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 62852421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).