1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine

C14H22N4 — CID 114041636

IUPAC1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
SMILESCCN(CC)CCn1c(N)nc2c(C)cccc21
InChIInChI=1S/C14H22N4/c1-4-17(5-2)9-10-18-12-8-6-7-11(3)13(12)16-14(18)15/h6-8H,4-5,9-10H2,1-3H3,(H2,15,16)
InChIKeyKYZBGDPECAIUKG-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.27
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine

1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine (PubChem CID 114041636) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
PubChem CID114041636
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
SMILESCCN(CC)CCn1c(N)nc2c(C)cccc21
InChIInChI=1S/C14H22N4/c1-4-17(5-2)9-10-18-12-8-6-7-11(3)13(12)16-14(18)15/h6-8H,4-5,9-10H2,1-3H3,(H2,15,16)
InChIKeyKYZBGDPECAIUKG-UHFFFAOYSA-N
XLogP2.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine (CID 114041636) is 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine is CCN(CC)CCn1c(N)nc2c(C)cccc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine?
The InChIKey is KYZBGDPECAIUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-17(5-2)9-10-18-12-8-6-7-11(3)13(12)16-14(18)15/h6-8H,4-5,9-10H2,1-3H3,(H2,15,16).
What are the key properties of 1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine?
1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.27, 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]-4-methylbenzimidazol-2-amine is sourced from PubChem (CID 114041636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).