N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine

C16H13N5 — CID 2850534

IUPACN-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13N5/c1-2-6-13-12(5-1)11(9-17-13)10-18-21-16-19-14-7-3-4-8-15(14)20-16/h1-10,17H,(H2,19,20,21)
InChIKeyQKWVMNHEYIXJMJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.49
Rot. Bonds3

About N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine

N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine (PubChem CID 2850534) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine
PubChem CID2850534
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13N5/c1-2-6-13-12(5-1)11(9-17-13)10-18-21-16-19-14-7-3-4-8-15(14)20-16/h1-10,17H,(H2,19,20,21)
InChIKeyQKWVMNHEYIXJMJ-UHFFFAOYSA-N
XLogP3.49
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine (CID 2850534) is N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine is C(=NNc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
The InChIKey is QKWVMNHEYIXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c1-2-6-13-12(5-1)11(9-17-13)10-18-21-16-19-14-7-3-4-8-15(14)20-16/h1-10,17H,(H2,19,20,21).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine?
N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-1H-benzimidazol-2-amine is sourced from PubChem (CID 2850534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).