2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide

C22H20N4O2 — CID 68973860

IUPAC2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
SMILESNc1nc2c(C(=O)NCCc3ccc(Oc4ccccc4)cc3)cccc2[nH]1
InChIInChI=1S/C22H20N4O2/c23-22-25-19-8-4-7-18(20(19)26-22)21(27)24-14-13-15-9-11-17(12-10-15)28-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,27)(H3,23,25,26)
InChIKeyKYERLJPHLVFANA-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.91
Rot. Bonds6

About 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide

2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 68973860) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
PubChem CID68973860
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
SMILESNc1nc2c(C(=O)NCCc3ccc(Oc4ccccc4)cc3)cccc2[nH]1
InChIInChI=1S/C22H20N4O2/c23-22-25-19-8-4-7-18(20(19)26-22)21(27)24-14-13-15-9-11-17(12-10-15)28-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,27)(H3,23,25,26)
InChIKeyKYERLJPHLVFANA-UHFFFAOYSA-N
XLogP3.91
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide (CID 68973860) is 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide is Nc1nc2c(C(=O)NCCc3ccc(Oc4ccccc4)cc3)cccc2[nH]1.
What is the InChIKey of 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is KYERLJPHLVFANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-22-25-19-8-4-7-18(20(19)26-22)21(27)24-14-13-15-9-11-17(12-10-15)28-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,24,27)(H3,23,25,26).
What are the key properties of 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide?
2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 68973860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).