2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine

C15H19N5 — CID 116877066

IUPAC2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccc3c(c2)ncn3C)[nH]1
InChIInChI=1S/C15H19N5/c1-10(7-16)5-15-17-8-13(19-15)11-3-4-14-12(6-11)18-9-20(14)2/h3-4,6,8-10H,5,7,16H2,1-2H3,(H,17,19)
InChIKeySOUXZGWWXNWZPS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine

2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 116877066) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID116877066
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccc3c(c2)ncn3C)[nH]1
InChIInChI=1S/C15H19N5/c1-10(7-16)5-15-17-8-13(19-15)11-3-4-14-12(6-11)18-9-20(14)2/h3-4,6,8-10H,5,7,16H2,1-2H3,(H,17,19)
InChIKeySOUXZGWWXNWZPS-UHFFFAOYSA-N
XLogP2.10
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine (CID 116877066) is 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine is CC(CN)Cc1ncc(-c2ccc3c(c2)ncn3C)[nH]1.
What is the InChIKey of 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is SOUXZGWWXNWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10(7-16)5-15-17-8-13(19-15)11-3-4-14-12(6-11)18-9-20(14)2/h3-4,6,8-10H,5,7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine?
2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 116877066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).