N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine

C17H19N3 — CID 924015

IUPACN-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine
SMILESCc1cccc(Nc2nc3ccccc3n2C(C)C)c1
InChIInChI=1S/C17H19N3/c1-12(2)20-16-10-5-4-9-15(16)19-17(20)18-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,18,19)
InChIKeyNQDFMSAXTSEDGE-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.67
Rot. Bonds3

About N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine

N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine (PubChem CID 924015) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine
PubChem CID924015
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine
SMILESCc1cccc(Nc2nc3ccccc3n2C(C)C)c1
InChIInChI=1S/C17H19N3/c1-12(2)20-16-10-5-4-9-15(16)19-17(20)18-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,18,19)
InChIKeyNQDFMSAXTSEDGE-UHFFFAOYSA-N
XLogP4.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine (CID 924015) is N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine is Cc1cccc(Nc2nc3ccccc3n2C(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine?
The InChIKey is NQDFMSAXTSEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)20-16-10-5-4-9-15(16)19-17(20)18-14-8-6-7-13(3)11-14/h4-12H,1-3H3,(H,18,19).
What are the key properties of N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine?
N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 924015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).