N,N-diethyl-1H-benzimidazol-3-ium-2-amine

C11H16N3+ — CID 2307465

IUPACN,N-diethyl-1H-benzimidazol-3-ium-2-amine
SMILESCCN(CC)c1[nH]c2ccccc2[nH+]1
InChIInChI=1S/C11H15N3/c1-3-14(4-2)11-12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3,(H,12,13)/p+1
InChIKeyBNTONWPLDAJHAE-UHFFFAOYSA-O
MW190.27 g/mol
LogP1.83
Rot. Bonds3

About N,N-diethyl-1H-benzimidazol-3-ium-2-amine

N,N-diethyl-1H-benzimidazol-3-ium-2-amine (PubChem CID 2307465) has the molecular formula C11H16N3+ and a molecular weight of 190.27 g/mol. Its IUPAC name is N,N-diethyl-1H-benzimidazol-3-ium-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1H-benzimidazol-3-ium-2-amine
PubChem CID2307465
Molecular FormulaC11H16N3+
Molecular Weight190.27 g/mol
Exact Mass190.13
IUPAC NameN,N-diethyl-1H-benzimidazol-3-ium-2-amine
SMILESCCN(CC)c1[nH]c2ccccc2[nH+]1
InChIInChI=1S/C11H15N3/c1-3-14(4-2)11-12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3,(H,12,13)/p+1
InChIKeyBNTONWPLDAJHAE-UHFFFAOYSA-O
XLogP1.83
TPSA33.17 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1H-benzimidazol-3-ium-2-amine?
The IUPAC name of N,N-diethyl-1H-benzimidazol-3-ium-2-amine (CID 2307465) is N,N-diethyl-1H-benzimidazol-3-ium-2-amine.
What is the SMILES notation for N,N-diethyl-1H-benzimidazol-3-ium-2-amine?
The canonical SMILES for N,N-diethyl-1H-benzimidazol-3-ium-2-amine is CCN(CC)c1[nH]c2ccccc2[nH+]1.
What is the InChIKey of N,N-diethyl-1H-benzimidazol-3-ium-2-amine?
The InChIKey is BNTONWPLDAJHAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15N3/c1-3-14(4-2)11-12-9-7-5-6-8-10(9)13-11/h5-8H,3-4H2,1-2H3,(H,12,13)/p+1.
What are the key properties of N,N-diethyl-1H-benzimidazol-3-ium-2-amine?
N,N-diethyl-1H-benzimidazol-3-ium-2-amine has a molecular weight of 190.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1H-benzimidazol-3-ium-2-amine is sourced from PubChem (CID 2307465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).