1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine

C19H24N4 — CID 145014209

IUPAC1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1c(C(N)CC(C)C)nc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C19H24N4/c1-4-23-18-12-15(14-7-9-21-10-8-14)5-6-17(18)22-19(23)16(20)11-13(2)3/h5-10,12-13,16H,4,11,20H2,1-3H3
InChIKeyYGPPTYHEVWPDBJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.16
Rot. Bonds5

About 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine

1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 145014209) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID145014209
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1c(C(N)CC(C)C)nc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C19H24N4/c1-4-23-18-12-15(14-7-9-21-10-8-14)5-6-17(18)22-19(23)16(20)11-13(2)3/h5-10,12-13,16H,4,11,20H2,1-3H3
InChIKeyYGPPTYHEVWPDBJ-UHFFFAOYSA-N
XLogP4.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine (CID 145014209) is 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine is CCn1c(C(N)CC(C)C)nc2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is YGPPTYHEVWPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-4-23-18-12-15(14-7-9-21-10-8-14)5-6-17(18)22-19(23)16(20)11-13(2)3/h5-10,12-13,16H,4,11,20H2,1-3H3.
What are the key properties of 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine?
1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-pyridin-4-ylbenzimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 145014209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).