ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine

C18H25N3 — CID 143181783

IUPACethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
SMILESCC.CC.Cc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3.2C2H6/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14;2*1-2/h2-9H,1H3,(H2,15,16,17);2*1-2H3
InChIKeyLXYUZJAARCKJKE-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.67
Rot. Bonds2

About ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine

ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine (PubChem CID 143181783) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Nameethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
PubChem CID143181783
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Nameethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
SMILESCC.CC.Cc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H13N3.2C2H6/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14;2*1-2/h2-9H,1H3,(H2,15,16,17);2*1-2H3
InChIKeyLXYUZJAARCKJKE-UHFFFAOYSA-N
XLogP5.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine (CID 143181783) is ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine is CC.CC.Cc1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is LXYUZJAARCKJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.2C2H6/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14;2*1-2/h2-9H,1H3,(H2,15,16,17);2*1-2H3.
What are the key properties of ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine?
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 283.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 143181783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).