N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine

C18H15N3O2 — CID 164885957

IUPACN-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine
SMILESc1ccc(Oc2ccc3nc(NCc4ccco4)[nH]c3c2)cc1
InChIInChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21)
InChIKeyKHBMCLOQYWKNDZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.56
Rot. Bonds5

About N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine

N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine (PubChem CID 164885957) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine
PubChem CID164885957
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine
SMILESc1ccc(Oc2ccc3nc(NCc4ccco4)[nH]c3c2)cc1
InChIInChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21)
InChIKeyKHBMCLOQYWKNDZ-UHFFFAOYSA-N
XLogP4.56
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine (CID 164885957) is N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine is c1ccc(Oc2ccc3nc(NCc4ccco4)[nH]c3c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine?
The InChIKey is KHBMCLOQYWKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine?
N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine has a molecular weight of 305.34 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-phenoxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 164885957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).