N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C19H22FN5 — CID 133460998

IUPACN-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCCc3nc4ccc(F)cc4n3C)n1)CCCC2
InChIInChI=1S/C19H22FN5/c1-12-22-15-6-4-3-5-14(15)19(23-12)21-10-9-18-24-16-8-7-13(20)11-17(16)25(18)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22,23)
InChIKeyXZTZCRGLALOQAW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.34
Rot. Bonds4

About N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133460998) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133460998
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC NameN-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NCCc3nc4ccc(F)cc4n3C)n1)CCCC2
InChIInChI=1S/C19H22FN5/c1-12-22-15-6-4-3-5-14(15)19(23-12)21-10-9-18-24-16-8-7-13(20)11-17(16)25(18)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22,23)
InChIKeyXZTZCRGLALOQAW-UHFFFAOYSA-N
XLogP3.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133460998) is N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NCCc3nc4ccc(F)cc4n3C)n1)CCCC2.
What is the InChIKey of N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is XZTZCRGLALOQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-12-22-15-6-4-3-5-14(15)19(23-12)21-10-9-18-24-16-8-7-13(20)11-17(16)25(18)2/h7-8,11H,3-6,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133460998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).