N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide

C21H19N3O3 — CID 1292700

IUPACN-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C21H19N3O3/c1-15-6-4-7-16(14-15)26-13-11-24-18-9-3-2-8-17(18)22-21(24)23-20(25)19-10-5-12-27-19/h2-10,12,14H,11,13H2,1H3,(H,22,23,25)
InChIKeyVMNBCZKMCSEKFG-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.27
Rot. Bonds6

About N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide

N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 1292700) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID1292700
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESCc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)c1
InChIInChI=1S/C21H19N3O3/c1-15-6-4-7-16(14-15)26-13-11-24-18-9-3-2-8-17(18)22-21(24)23-20(25)19-10-5-12-27-19/h2-10,12,14H,11,13H2,1H3,(H,22,23,25)
InChIKeyVMNBCZKMCSEKFG-UHFFFAOYSA-N
XLogP4.27
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide (CID 1292700) is N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide is Cc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)c1.
What is the InChIKey of N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is VMNBCZKMCSEKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15-6-4-7-16(14-15)26-13-11-24-18-9-3-2-8-17(18)22-21(24)23-20(25)19-10-5-12-27-19/h2-10,12,14H,11,13H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1292700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).