N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine

C17H16FN5O — CID 50973064

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C17H16FN5O/c1-23(9-12-3-5-16(24-12)14-6-7-19-22-14)10-17-20-13-4-2-11(18)8-15(13)21-17/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyBUWDRMZXPRLSDJ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.32
Rot. Bonds5

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine (PubChem CID 50973064) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
PubChem CID50973064
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
SMILESCN(Cc1nc2ccc(F)cc2[nH]1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C17H16FN5O/c1-23(9-12-3-5-16(24-12)14-6-7-19-22-14)10-17-20-13-4-2-11(18)8-15(13)21-17/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyBUWDRMZXPRLSDJ-UHFFFAOYSA-N
XLogP3.32
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine (CID 50973064) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine is CN(Cc1nc2ccc(F)cc2[nH]1)Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The InChIKey is BUWDRMZXPRLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-23(9-12-3-5-16(24-12)14-6-7-19-22-14)10-17-20-13-4-2-11(18)8-15(13)21-17/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine has a molecular weight of 325.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine is sourced from PubChem (CID 50973064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).