N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine

C18H15N3O — CID 828702

IUPACN-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
SMILESc1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1
InChIInChI=1S/C18H15N3O/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2
InChIKeyWHYDKGNPJIYMMT-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.23
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine

N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine (PubChem CID 828702) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
PubChem CID828702
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
SMILESc1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1
InChIInChI=1S/C18H15N3O/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2
InChIKeyWHYDKGNPJIYMMT-UHFFFAOYSA-N
XLogP4.23
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine (CID 828702) is N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine is c1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine?
The InChIKey is WHYDKGNPJIYMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2.
What are the key properties of N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine?
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine has a molecular weight of 289.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine is sourced from PubChem (CID 828702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).