7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine

C20H20N6 — CID 67607115

IUPAC7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(C3CC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C20H20N6/c1-10-7-16-17(8-11(10)2)26(19(23-16)12-3-4-12)13-5-6-14-15(9-13)24-20(22)25-18(14)21/h5-9,12H,3-4H2,1-2H3,(H4,21,22,24,25)
InChIKeyNLGVJNCEKIIFQO-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.63
Rot. Bonds2

About 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine

7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine (PubChem CID 67607115) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine
PubChem CID67607115
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(C3CC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C20H20N6/c1-10-7-16-17(8-11(10)2)26(19(23-16)12-3-4-12)13-5-6-14-15(9-13)24-20(22)25-18(14)21/h5-9,12H,3-4H2,1-2H3,(H4,21,22,24,25)
InChIKeyNLGVJNCEKIIFQO-UHFFFAOYSA-N
XLogP3.63
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine (CID 67607115) is 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine is Cc1cc2nc(C3CC3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C.
What is the InChIKey of 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The InChIKey is NLGVJNCEKIIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-10-7-16-17(8-11(10)2)26(19(23-16)12-3-4-12)13-5-6-14-15(9-13)24-20(22)25-18(14)21/h5-9,12H,3-4H2,1-2H3,(H4,21,22,24,25).
What are the key properties of 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine?
7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropyl-5,6-dimethylbenzimidazol-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 67607115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).