3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine

C15H19N5 — CID 116877211

IUPAC3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1ncc(-c2ccc3nc[nH]c3c2)[nH]1
InChIInChI=1S/C15H19N5/c1-15(2,8-16)6-14-17-7-13(20-14)10-3-4-11-12(5-10)19-9-18-11/h3-5,7,9H,6,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHAXHPWMXPGFMMV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.48
Rot. Bonds4

About 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine

3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 116877211) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID116877211
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)Cc1ncc(-c2ccc3nc[nH]c3c2)[nH]1
InChIInChI=1S/C15H19N5/c1-15(2,8-16)6-14-17-7-13(20-14)10-3-4-11-12(5-10)19-9-18-11/h3-5,7,9H,6,8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHAXHPWMXPGFMMV-UHFFFAOYSA-N
XLogP2.48
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine (CID 116877211) is 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1ncc(-c2ccc3nc[nH]c3c2)[nH]1.
What is the InChIKey of 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is HAXHPWMXPGFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-15(2,8-16)6-14-17-7-13(20-14)10-3-4-11-12(5-10)19-9-18-11/h3-5,7,9H,6,8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine?
3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116877211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).