N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine

C19H15FN4O — CID 133409971

IUPACN-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(Oc2cc(CNc3nc4ccccc4[nH]3)ccn2)cc1
InChIInChI=1S/C19H15FN4O/c20-14-5-7-15(8-6-14)25-18-11-13(9-10-21-18)12-22-19-23-16-3-1-2-4-17(16)24-19/h1-11H,12H2,(H2,22,23,24)
InChIKeyNXZJLKNLFHHHCO-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine

N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133409971) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
PubChem CID133409971
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC NameN-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
SMILESFc1ccc(Oc2cc(CNc3nc4ccccc4[nH]3)ccn2)cc1
InChIInChI=1S/C19H15FN4O/c20-14-5-7-15(8-6-14)25-18-11-13(9-10-21-18)12-22-19-23-16-3-1-2-4-17(16)24-19/h1-11H,12H2,(H2,22,23,24)
InChIKeyNXZJLKNLFHHHCO-UHFFFAOYSA-N
XLogP4.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]quinazolin-4-amine
CID 56574277
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914207
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
N-[(3-fluoro-2-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 133411151
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 83326035
3-[6-[4-[(1H-benzimidazol-2-ylamino)methyl]phenoxy]-1-oxidopyridin-1-ium-2-yl]-3-(4-fluorophenyl)propanoic acid
CID 10211064
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409852
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
N-methyl-1-(2-naphthalen-2-yloxy-4-pyridinyl)methanamine
CID 62322369

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine (CID 133409971) is N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine is Fc1ccc(Oc2cc(CNc3nc4ccccc4[nH]3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is NXZJLKNLFHHHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-14-5-7-15(8-6-14)25-18-11-13(9-10-21-18)12-22-19-23-16-3-1-2-4-17(16)24-19/h1-11H,12H2,(H2,22,23,24).
What are the key properties of N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine?
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 334.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133409971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).