N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine

C20H17N3O — CID 166899759

IUPACN-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine
SMILESCc1ccccc1Oc1ccc(Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H17N3O/c1-14-4-2-3-5-20(14)24-17-9-6-15(7-10-17)23-16-8-11-18-19(12-16)22-13-21-18/h2-13,23H,1H3,(H,21,22)
InChIKeyFDGHPHLTHRJWTP-UHFFFAOYSA-N
MW315.38 g/mol
LogP5.41
Rot. Bonds4

About N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine

N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine (PubChem CID 166899759) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine
PubChem CID166899759
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine
SMILESCc1ccccc1Oc1ccc(Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H17N3O/c1-14-4-2-3-5-20(14)24-17-9-6-15(7-10-17)23-16-8-11-18-19(12-16)22-13-21-18/h2-13,23H,1H3,(H,21,22)
InChIKeyFDGHPHLTHRJWTP-UHFFFAOYSA-N
XLogP5.41
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.38
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine?
The IUPAC name of N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine (CID 166899759) is N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine?
The canonical SMILES for N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine is Cc1ccccc1Oc1ccc(Nc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine?
The InChIKey is FDGHPHLTHRJWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-4-2-3-5-20(14)24-17-9-6-15(7-10-17)23-16-8-11-18-19(12-16)22-13-21-18/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine?
N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine has a molecular weight of 315.38 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenoxy)phenyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 166899759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).