N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine

C17H16N4 — CID 652872

IUPACN-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C17H16N4/c1-21-16-9-5-4-8-15(16)20-17(21)19-11-12-10-18-14-7-3-2-6-13(12)14/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyFOIVXEQNSMOVOD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.67
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine

N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine (PubChem CID 652872) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine
PubChem CID652872
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine
SMILESCn1c(NCc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C17H16N4/c1-21-16-9-5-4-8-15(16)20-17(21)19-11-12-10-18-14-7-3-2-6-13(12)14/h2-10,18H,11H2,1H3,(H,19,20)
InChIKeyFOIVXEQNSMOVOD-UHFFFAOYSA-N
XLogP3.67
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine (CID 652872) is N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine is Cn1c(NCc2c[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine?
The InChIKey is FOIVXEQNSMOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-21-16-9-5-4-8-15(16)20-17(21)19-11-12-10-18-14-7-3-2-6-13(12)14/h2-10,18H,11H2,1H3,(H,19,20).
What are the key properties of N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine?
N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 652872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).