(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine

C19H22FN3 — CID 25186931

IUPAC(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine
SMILESCCC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C19H22FN3/c1-3-13(2)18(21)19-22-16-9-4-5-10-17(16)23(19)12-14-7-6-8-15(20)11-14/h4-11,13,18H,3,12,21H2,1-2H3/t13?,18-/m0/s1
InChIKeyMUHVFGNVDLXJFQ-UWBLVGDVSA-N
MW311.40 g/mol
LogP4.27
Rot. Bonds5

About (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine

(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine (PubChem CID 25186931) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine
PubChem CID25186931
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine
SMILESCCC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1
InChIInChI=1S/C19H22FN3/c1-3-13(2)18(21)19-22-16-9-4-5-10-17(16)23(19)12-14-7-6-8-15(20)11-14/h4-11,13,18H,3,12,21H2,1-2H3/t13?,18-/m0/s1
InChIKeyMUHVFGNVDLXJFQ-UWBLVGDVSA-N
XLogP4.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine?
The IUPAC name of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine (CID 25186931) is (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine?
The canonical SMILES for (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine is CCC(C)[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1.
What is the InChIKey of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine?
The InChIKey is MUHVFGNVDLXJFQ-UWBLVGDVSA-N. The full InChI is InChI=1S/C19H22FN3/c1-3-13(2)18(21)19-22-16-9-4-5-10-17(16)23(19)12-14-7-6-8-15(20)11-14/h4-11,13,18H,3,12,21H2,1-2H3/t13?,18-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine?
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine has a molecular weight of 311.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 25186931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).