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

C18H16FN5 — CID 133409852

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCc1nccn1-c1ccc(CNc2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C18H16FN5/c1-12-20-8-9-24(12)17-7-6-13(10-14(17)19)11-21-18-22-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H2,21,22,23)
InChIKeyXMIYCAVYNJRHRJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.81
Rot. Bonds4

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

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133409852) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID133409852
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCc1nccn1-c1ccc(CNc2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C18H16FN5/c1-12-20-8-9-24(12)17-7-6-13(10-14(17)19)11-21-18-22-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H2,21,22,23)
InChIKeyXMIYCAVYNJRHRJ-UHFFFAOYSA-N
XLogP3.81
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918426
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133298868
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 60584922
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 133411151
2-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 133274418

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine (CID 133409852) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine is Cc1nccn1-c1ccc(CNc2nc3ccccc3[nH]2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is XMIYCAVYNJRHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-12-20-8-9-24(12)17-7-6-13(10-14(17)19)11-21-18-22-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H2,21,22,23).
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 321.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133409852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).