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

C16H14N4 — CID 115143953

IUPACN-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C16H14N4/c1-20-15-9-5-4-8-13(15)18-16(20)19-14-10-17-12-7-3-2-6-11(12)14/h2-10,17H,1H3,(H,18,19)
InChIKeyJVJPQWYDVDVPOT-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.80
Rot. Bonds2

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

N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine (PubChem CID 115143953) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
PubChem CID115143953
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
SMILESCn1c(Nc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C16H14N4/c1-20-15-9-5-4-8-13(15)18-16(20)19-14-10-17-12-7-3-2-6-11(12)14/h2-10,17H,1H3,(H,18,19)
InChIKeyJVJPQWYDVDVPOT-UHFFFAOYSA-N
XLogP3.80
TPSA45.64 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 ≤ 53.80
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-yl)-1-methylbenzimidazol-2-amine?
The IUPAC name of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine (CID 115143953) is N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine is Cn1c(Nc2c[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
The InChIKey is JVJPQWYDVDVPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-20-15-9-5-4-8-13(15)18-16(20)19-14-10-17-12-7-3-2-6-11(12)14/h2-10,17H,1H3,(H,18,19).
What are the key properties of N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine?
N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 115143953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).