1-[2-(diethylamino)ethyl]benzimidazol-2-amine

C13H20N4 — CID 559474

IUPAC1-[2-(diethylamino)ethyl]benzimidazol-2-amine
SMILESCCN(CC)CCn1c(N)nc2ccccc21
InChIInChI=1S/C13H20N4/c1-3-16(4-2)9-10-17-12-8-6-5-7-11(12)15-13(17)14/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKeyLNQFKLQTSNFJIH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]benzimidazol-2-amine

1-[2-(diethylamino)ethyl]benzimidazol-2-amine (PubChem CID 559474) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]benzimidazol-2-amine
PubChem CID559474
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[2-(diethylamino)ethyl]benzimidazol-2-amine
SMILESCCN(CC)CCn1c(N)nc2ccccc21
InChIInChI=1S/C13H20N4/c1-3-16(4-2)9-10-17-12-8-6-5-7-11(12)15-13(17)14/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKeyLNQFKLQTSNFJIH-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
CID 114041636
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
2-[(E)-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]iminomethyl]phenol
CID 135822358
2-[2-[(4-ethoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine;hydrochloride
CID 3027324
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N,N-diethyl-2-[2-(2-methoxyethylsulfanyl)benzimidazol-1-yl]ethanamine;dihydrochloride
CID 3027330
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184
N-[2-(2-aminobenzimidazol-1-yl)ethyl]formamide
CID 87838534
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]benzimidazol-2-amine (CID 559474) is 1-[2-(diethylamino)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]benzimidazol-2-amine is CCN(CC)CCn1c(N)nc2ccccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
The InChIKey is LNQFKLQTSNFJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-16(4-2)9-10-17-12-8-6-5-7-11(12)15-13(17)14/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 1-[2-(diethylamino)ethyl]benzimidazol-2-amine?
1-[2-(diethylamino)ethyl]benzimidazol-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 559474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).