5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine

C20H24N4 — CID 156650773

IUPAC5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1cc(-c2cc(C)c3ncn(C(C)C)c3c2)c(C)cn1
InChIInChI=1S/C20H24N4/c1-12(2)23-19-9-17(15(6)10-21-19)16-7-14(5)20-18(8-16)24(11-22-20)13(3)4/h7-11,13H,1H2,2-6H3,(H,21,23)
InChIKeyIHDWVABUDNCMES-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.24
Rot. Bonds4

About 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine

5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine (PubChem CID 156650773) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine
PubChem CID156650773
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1cc(-c2cc(C)c3ncn(C(C)C)c3c2)c(C)cn1
InChIInChI=1S/C20H24N4/c1-12(2)23-19-9-17(15(6)10-21-19)16-7-14(5)20-18(8-16)24(11-22-20)13(3)4/h7-11,13H,1H2,2-6H3,(H,21,23)
InChIKeyIHDWVABUDNCMES-UHFFFAOYSA-N
XLogP5.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine?
The IUPAC name of 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine (CID 156650773) is 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine.
What is the SMILES notation for 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine?
The canonical SMILES for 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine is C=C(C)Nc1cc(-c2cc(C)c3ncn(C(C)C)c3c2)c(C)cn1.
What is the InChIKey of 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine?
The InChIKey is IHDWVABUDNCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-12(2)23-19-9-17(15(6)10-21-19)16-7-14(5)20-18(8-16)24(11-22-20)13(3)4/h7-11,13H,1H2,2-6H3,(H,21,23).
What are the key properties of 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine?
5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine has a molecular weight of 320.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(7-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-prop-1-en-2-ylpyridin-2-amine is sourced from PubChem (CID 156650773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).