2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine

C15H13N5 — CID 846186

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(-c3nc4ccc(N)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C15H13N5/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16)7-14(12)20-15/h2-7H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyIKRLPAYIOFBMEW-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.00
Rot. Bonds1

About 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine

2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine (PubChem CID 846186) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine
PubChem CID846186
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(-c3nc4ccc(N)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C15H13N5/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16)7-14(12)20-15/h2-7H,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyIKRLPAYIOFBMEW-UHFFFAOYSA-N
XLogP3.00
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine (CID 846186) is 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine is Cc1nc2ccc(-c3nc4ccc(N)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine?
The InChIKey is IKRLPAYIOFBMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-8-17-11-4-2-9(6-13(11)18-8)15-19-12-5-3-10(16)7-14(12)20-15/h2-7H,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine?
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine has a molecular weight of 263.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 846186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).