N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

C15H18FN5 — CID 75483099

IUPACN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCN(CCCn1ccnc1)Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C15H18FN5/c1-20(7-3-8-21-9-6-17-11-21)10-14-18-13-5-2-4-12(16)15(13)19-14/h2,4-6,9,11H,3,7-8,10H2,1H3,(H,18,19)
InChIKeySCWFDVOHHITENH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.42
Rot. Bonds6

About N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine

N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (PubChem CID 75483099) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
PubChem CID75483099
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESCN(CCCn1ccnc1)Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C15H18FN5/c1-20(7-3-8-21-9-6-17-11-21)10-14-18-13-5-2-4-12(16)15(13)19-14/h2,4-6,9,11H,3,7-8,10H2,1H3,(H,18,19)
InChIKeySCWFDVOHHITENH-UHFFFAOYSA-N
XLogP2.42
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
CID 133376158
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]benzenecarbothioamide
CID 62967905
3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 171912724
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 16824153
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine (CID 75483099) is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is CN(CCCn1ccnc1)Cc1nc2c(F)cccc2[nH]1.
What is the InChIKey of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The InChIKey is SCWFDVOHHITENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-20(7-3-8-21-9-6-17-11-21)10-14-18-13-5-2-4-12(16)15(13)19-14/h2,4-6,9,11H,3,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine has a molecular weight of 287.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 75483099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).