1-(1H-indol-4-ylmethyl)benzimidazol-2-amine

C16H14N4 — CID 141314426

IUPAC1-(1H-indol-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1cccc2[nH]ccc12
InChIInChI=1S/C16H14N4/c17-16-19-14-5-1-2-7-15(14)20(16)10-11-4-3-6-13-12(11)8-9-18-13/h1-9,18H,10H2,(H2,17,19)
InChIKeyIJHJLTOIXCJGIV-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.15
Rot. Bonds2

About 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine

1-(1H-indol-4-ylmethyl)benzimidazol-2-amine (PubChem CID 141314426) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)benzimidazol-2-amine
PubChem CID141314426
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name1-(1H-indol-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccccc2n1Cc1cccc2[nH]ccc12
InChIInChI=1S/C16H14N4/c17-16-19-14-5-1-2-7-15(14)20(16)10-11-4-3-6-13-12(11)8-9-18-13/h1-9,18H,10H2,(H2,17,19)
InChIKeyIJHJLTOIXCJGIV-UHFFFAOYSA-N
XLogP3.15
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine (CID 141314426) is 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine is Nc1nc2ccccc2n1Cc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is IJHJLTOIXCJGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-16-19-14-5-1-2-7-15(14)20(16)10-11-4-3-6-13-12(11)8-9-18-13/h1-9,18H,10H2,(H2,17,19).
What are the key properties of 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine?
1-(1H-indol-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 141314426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).