1,3-diethyl-2-methylidenebenzimidazole

C12H16N2 — CID 13297425

IUPAC1,3-diethyl-2-methylidenebenzimidazole
SMILESC=C1N(CC)c2ccccc2N1CC
InChIInChI=1S/C12H16N2/c1-4-13-10(3)14(5-2)12-9-7-6-8-11(12)13/h6-9H,3-5H2,1-2H3
InChIKeySHYTXTWQVLSMHK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.82
Rot. Bonds2

About 1,3-diethyl-2-methylidenebenzimidazole

1,3-diethyl-2-methylidenebenzimidazole (PubChem CID 13297425) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,3-diethyl-2-methylidenebenzimidazole.

Molecular Properties

Compound Name1,3-diethyl-2-methylidenebenzimidazole
PubChem CID13297425
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,3-diethyl-2-methylidenebenzimidazole
SMILESC=C1N(CC)c2ccccc2N1CC
InChIInChI=1S/C12H16N2/c1-4-13-10(3)14(5-2)12-9-7-6-8-11(12)13/h6-9H,3-5H2,1-2H3
InChIKeySHYTXTWQVLSMHK-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methylidenebenzimidazole?
The IUPAC name of 1,3-diethyl-2-methylidenebenzimidazole (CID 13297425) is 1,3-diethyl-2-methylidenebenzimidazole.
What is the SMILES notation for 1,3-diethyl-2-methylidenebenzimidazole?
The canonical SMILES for 1,3-diethyl-2-methylidenebenzimidazole is C=C1N(CC)c2ccccc2N1CC.
What is the InChIKey of 1,3-diethyl-2-methylidenebenzimidazole?
The InChIKey is SHYTXTWQVLSMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-13-10(3)14(5-2)12-9-7-6-8-11(12)13/h6-9H,3-5H2,1-2H3.
What are the key properties of 1,3-diethyl-2-methylidenebenzimidazole?
1,3-diethyl-2-methylidenebenzimidazole has a molecular weight of 188.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methylidenebenzimidazole is sourced from PubChem (CID 13297425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).