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

C14H17N5 — CID 116877363

IUPACN-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc3nc[nH]c3c2)[nH]1
InChIInChI=1S/C14H17N5/c1-9(2)15-7-14-16-6-13(19-14)10-3-4-11-12(5-10)18-8-17-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXVKYPXXOWARTPC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.45
Rot. Bonds4

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

N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine (PubChem CID 116877363) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
PubChem CID116877363
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC NameN-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncc(-c2ccc3nc[nH]c3c2)[nH]1
InChIInChI=1S/C14H17N5/c1-9(2)15-7-14-16-6-13(19-14)10-3-4-11-12(5-10)18-8-17-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXVKYPXXOWARTPC-UHFFFAOYSA-N
XLogP2.45
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
CID 116877211
3-[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880189
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60843269
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60842734
6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1H-benzimidazole
CID 141365905
N-[[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60854851
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60853947
1-N-[5-(3H-benzimidazol-5-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974313
[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
CID 116828782
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894712

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine (CID 116877363) is N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine is CC(C)NCc1ncc(-c2ccc3nc[nH]c3c2)[nH]1.
What is the InChIKey of N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is XVKYPXXOWARTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9(2)15-7-14-16-6-13(19-14)10-3-4-11-12(5-10)18-8-17-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine?
N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3H-benzimidazol-5-yl)-1H-imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 116877363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).